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Aminoimidazole Carboxamide

PubChem CID: 9679

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Compound Synonyms 360-97-4, 5-Aminoimidazole-4-carboxamide, 4-Amino-1H-imidazole-5-carboxamide, 5-amino-1H-imidazole-4-carboxamide, 4-Amino-5-imidazolecarboxamide, 5-Amino-4-imidazolecarboxamide, 21299-72-9, 4-Aminoimidazole-5-carboxamide, AICA, Colahepat, Aminoimidazole carboxamide, 1H-Imidazole-4-carboxamide, 5-amino-, Diazol-C, 4-Carbamoyl-5-aminoimidazole, 5-Aminoimidazol-4-carboxamide, 4-Carboxamido-5-aminoimidazole, 5-amino-3H-imidazole-4-carboxamide, Ba 2756, IMIDAZOLE-4-CARBOXAMIDE, 5-AMINO-, 4-Amino-5-imidazole carboxamide, 5-Aminoimidazolecarboxamide, 5-Imidazolecarboxamide, 4-amino-, 5-Aminoimidazole carboxamide, NSC 7784, 5-amino-imidazole-4-carboxamide, NSC-7784, EINECS 206-641-4, 4-amino-5-carbamoylimidazole, CHEBI:2030, AIC, IMIDAZOLE-4(OR 5)-CARBOXAMIDE, 5(OR 4)-AMINO-, MFCD02181040, 3V0Y2PDE6K, 5-Amino-4-imidazolecarboxyamide, DTXSID8059891, BA-2756, DACARBAZINE IMPURITY B [EP IMPURITY], TEMOZOLOMIDE IMPURITY A [EP IMPURITY], Imidazole-4-carboxamide, 5-amino- (hydrochloride), TEMOZOLOMIDE IMPURITY, AMINOIMIDAZOLECARBOXAMIDE [USP IMPURITY], DACARBAZINE IMPURITY B (EP IMPURITY), TEMOZOLOMIDE IMPURITY A (EP IMPURITY), Carboxamide, Aminoimidazole, UNII-3V0Y2PDE6K, TEMOZOLOMIDE IMPURITY, AMINOIMIDAZOLECARBOXAMIDE (USP IMPURITY), Aminoimidazole-4-carboxamide, 5-, 5AC, Dacarbazine impurity B, SCHEMBL8024, CHEMBL1610, 4-Aminoimidazol-5-carboamide, MLS000701328, Imidazole C-4,5 deriv. 2, WLN: T5M CNJ DVZ EZ, BDBM7957, DTXCID7039127, DVNYTAVYBRSTGK-UHFFFAOYSA-, NSC7784, Imidazole, 5-amino-4-carboxamide, HMS2231D11, HMS3369A01, 5-amino-1H-imidazole4-carboxamide, BCP22943, 5-amino-1 H-imidazole4-carboxamide, 4-azanyl-1H-imidazole-5-carboxamide, HY-41461R, Imidazole, 4-amino-5-aminocarbonyl-, s3651, STL484285, 5-amino-1 H-imidazole-4-carboxamide, 5-Amino-4-imidazolecarboxamide, 95%, AKOS009084625, AKOS015855671, 5-Amino-1H-imidazole-4-carboxamide #, AC-8311, CCG-266103, CS-W019921, FA00577, FA09803, NCGC00245975-01, NCGC00245975-02, AS-12404, HY-41461, SMR000526285, SY009547, DB-014548, NS00014751, 4-Amino-5-carboxamido imidazole hydrochloride, 5-amino-1H-imidazole-4-carboxylic acid amide, 5-Amino-3H-imidazole-4-carboxylic acid amide, EN300-23736, 5-Amino-3H-imidazole-4-Carboxamide (Standard), A29261, C04051, O11342, W13853, A823125, AG-756/20213048, Q27067435, 4-Amino-5-imidazolecarboxamide hydrochloride (Salt/Mix), F0001-1035, 49B332E5-7C8B-4C28-9FDF-05F173231B6A, Dacarbazine impurity B, European Pharmacopoeia (EP) Reference Standard, InChI=1/C4H6N4O/c5-3-2(4(6)9)7-1-8-3/h1H,5H2,(H2,6,9)(H,7,8)
Topological Polar Surface Area 97.8
Hydrogen Bond Donor Count 3.0
Heavy Atom Count 9.0
Description An imidazole derivative which is a metabolite of the antineoplastic agents BIC and DIC. By itself, or as the ribonucleotide, it is used as a condensation agent in the preparation of nucleosides and nucleotides. Compounded with orotic acid, it is used to treat liver diseases. -- Pubchem [HMDB]
Isotope Atom Count 0.0
Molecular Complexity 126.0
Database Name cmaup_ingredients;fooddb_chem_all;hmdb_chem_all;npass_chem_all;pubchem
Defined Atom Stereocenter Count 0.0
Enzyme Uniprot Id P07741, P30566, P31939
Uniprot Id P07741, P30566, P31939, Q9Y2T3, P83916, O75496, Q13148, n.a.
Iupac Name 4-amino-1H-imidazole-5-carboxamide
Prediction Hob 1.0
Class Azoles
Target Id NPT876
Xlogp -0.5
Superclass Organoheterocyclic compounds
Subclass Imidazoles
Molecular Formula C4H6N4O
Prediction Swissadme 0.0
Inchi Key DVNYTAVYBRSTGK-UHFFFAOYSA-N
Fcsp3 0.0
Logs -1.794
Rotatable Bond Count 1.0
State Solid
Logd -0.759
Synonyms 4-amino-5-Carbamoylimidazole, 4-Amino-5-Imidazolecarboxamide, 4-Aminoimidazole-5-carboxamide, 4-Carbamoyl-5-aminoimidazole, 4-Carboxamido-5-aminoimidazole, 5-amino-1H-Imidazole-4-carboxamide, 5-amino-4-imidazolecarboxamide, 5-amino-4-Imidazolecarboxyamide, 5-amino-Imidazole-4-carboxamide, 5-Aminoimidazol-4-carboxamide, 5(4)-amino-4(5)-Imidazolecarboxamide, AIC, AICA, Colahepat, 4-Amino-5-carbamoylimidazole, 4-Amino-5-imidazolecarboxamide, 5(4)-Amino-4(5)-imidazolecarboxamide, 5-Amino-4-imidazolecarboxyamide, 5-Amino-1H-imidazole-4-carboxamide, 5-Amino-4-imidazolecarboxamide, 5-Amino-imidazole-4-carboxamide, 5-Aminoimidazole-4-carboxamide ribotide, AICAR, Aminoimidazole carboxamide, Carboxamide, aminoimidazole
Substituent Name Primary aromatic amine, Aminoimidazole, Heteroaromatic compound, Azacycle, Carboximidic acid derivative, Carboximidic acid, Hydrocarbon derivative, Aromatic alcohol, Primary amine, Organooxygen compound, Organonitrogen compound, Amine, Aromatic heteromonocyclic compound
Compound Name Aminoimidazole Carboxamide
Kingdom Organic compounds
Prediction Hob Swissadme 0.0
Exact Mass 126.054
Formal Charge 0.0
Monoisotopic Mass 126.054
Hydrogen Bond Acceptor Count 3.0
Molecular Weight 126.12
Covalent Unit Count 1.0
Total Atom Stereocenter Count 0.0
Total Bond Stereocenter Count 0.0
Molecular Framework Aromatic heteromonocyclic compounds
Esol -0.740248911111111
Inchi InChI=1S/C4H6N4O/c5-3-2(4(6)9)7-1-8-3/h1H,5H2,(H2,6,9)(H,7,8)
Smiles C1=NC(=C(N1)C(=O)N)N
Nring 1.0
Defined Bond Stereocenter Count 0.0
Taxonomy Direct Parent Aminoimidazoles

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