Acetoguanamine
PubChem CID: 10949
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| Compound Synonyms | 6-Methyl-1,3,5-triazine-2,4-diamine, 542-02-9, Acetoguanamine, 2,4-Diamino-6-methyl-1,3,5-triazine, 1,3,5-Triazine-2,4-diamine, 6-methyl-, 2-Methyl-4,6-diamino-1,3,5-triazine, 2,4-DIAMINO-6-METHYL-S-TRIAZINE, ENT 50715, 6-Methyl-1,3,5-triazine-2,4-diyldiamine, s-Triazine, 2,4-diamino-6-methyl-, NSC 257, EINECS 208-796-3, AX41T8ULB3, CCRIS 8909, DTXSID5029186, CHEBI:72475, AI3-50715, NSC-257, 6-METHYLGUANAMINE, DTXCID909186, EC 208-796-3, 6-?Methylguanamine, EMD-27355, 2,6-DIAMINO-4-METHYL-S-TRIAZINE, 2-METHYL-4,6-DIAMINO-S-TRIAZINE, 6-methyl-[1,3,5]triazine-2,4-diamine, DIAMINO-6-METHYL-1,3,5-TRIAZINE, 2,4-, 1,3,5-Triazine, 2,4-diamino-6-methyl-, Acetoguanamin, MFCD00023192, UNII-AX41T8ULB3, SCHEMBL36733, 2-Methyl-4,3,5-triazine, NSC257, CHEMBL1738722, SCHEMBL19903723, s-Triazine,4-diamino-6-methyl-, BCP30988, Tox21_201166, AKOS000120428, CS-W011174, FS-3797, 1,5-Triazine-2,4-diamine, 6-methyl-, NCGC00248942-01, NCGC00258718-01, CAS-542-02-9, 6-Methyl-1,3,5-triazine-2,4-diamine #, s-Triazine, 2,4-diamino-6-methyl-(8CI), D0583, NS00003170, EN300-21510, 6-Methyl-1,3,5-triazine-2,4-diamine, 98%, W13851, AN-584/43584010, Q4673271, Z104500552, 1,3,5-Triazine-2,4-diamine,6-methyl-, 2,4-Diamino-6-methyl-1,3,5-triazine, InChI=1/C4H7N5/c1-2-7-3(5)9-4(6)8-2/h1H3,(H4,5,6,7,8,9, 3AW |
|---|---|
| Ghose Rule | False |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 90.7 |
| Hydrogen Bond Donor Count | 2.0 |
| Pfizer 3 75 Rule | True |
| Scaffold Graph Level | C1CCCCC1 |
| Deep Smiles | CcncN)ncn6)N |
| Heavy Atom Count | 9.0 |
| Classyfire Class | Triazines |
| Scaffold Graph Node Level | C1NCNCN1 |
| Classyfire Subclass | Aminotriazines |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 85.0 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 6-methyl-1,3,5-triazine-2,4-diamine |
| Veber Rule | True |
| Classyfire Superclass | Organoheterocyclic compounds |
| Xlogp | -0.3 |
| Gsk 4 400 Rule | True |
| Molecular Formula | C4H7N5 |
| Scaffold Graph Node Bond Level | c1ncncn1 |
| Inchi Key | NJYZCEFQAIUHSD-UHFFFAOYSA-N |
| Silicos It Class | Soluble |
| Rotatable Bond Count | 0.0 |
| Synonyms | 2,4-diamino-6-methyl-1,3,5-triazine |
| Esol Class | Very soluble |
| Functional Groups | cN, cnc |
| Compound Name | Acetoguanamine |
| Exact Mass | 125.07 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 125.07 |
| Hydrogen Bond Acceptor Count | 5.0 |
| Molecular Weight | 125.13 |
| Gi Absorption | True |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Lipinski Rule Of 5 | True |
| Inchi | InChI=1S/C4H7N5/c1-2-7-3(5)9-4(6)8-2/h1H3,(H4,5,6,7,8,9) |
| Smiles | CC1=NC(=NC(=N1)N)N |
| Np Classifier Biosynthetic Pathway | Alkaloids |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
- 1. Outgoing r'ship
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