6-(2-Formylhydrazino)-N,N'-bis(isopropyl)-1,3,5-triazine-2,4-diamine
PubChem CID: 620001
Connections displayed (default: 10).
Loading graph...
| Compound Synonyms | BLEYQQMGXTVTNX-UHFFFAOYSA-N, 6-(2-Formylhydrazino)-N,N'-bis(isopropyl)-1,3,5-triazine-2,4-diamine, N'-[4,6-Bis(isopropylamino)-1,3,5-triazin-2-yl]formic hydrazide # |
|---|---|
| Ghose Rule | True |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 104.0 |
| Hydrogen Bond Donor Count | 4.0 |
| Pfizer 3 75 Rule | True |
| Scaffold Graph Level | C1CCCCC1 |
| Np Classifier Class | Phenylalanine-derived alkaloids |
| Deep Smiles | O=CNNcncNCC)C)))ncn6)NCC)C |
| Heavy Atom Count | 18.0 |
| Classyfire Class | Triazines |
| Scaffold Graph Node Level | C1NCNCN1 |
| Classyfire Subclass | Aminotriazines |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 230.0 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | N-[[4,6-bis(propan-2-ylamino)-1,3,5-triazin-2-yl]amino]formamide |
| Veber Rule | True |
| Classyfire Superclass | Organoheterocyclic compounds |
| Xlogp | 2.0 |
| Gsk 4 400 Rule | True |
| Molecular Formula | C10H19N7O |
| Scaffold Graph Node Bond Level | c1ncncn1 |
| Inchi Key | BLEYQQMGXTVTNX-UHFFFAOYSA-N |
| Silicos It Class | Soluble |
| Rotatable Bond Count | 6.0 |
| Synonyms | 6-(2-formylhydrazino)-n,n-bis(isopropyl)-1,3,5-triazine-2,4-diamine |
| Esol Class | Soluble |
| Functional Groups | cNC, cNNC=O, cnc |
| Compound Name | 6-(2-Formylhydrazino)-N,N'-bis(isopropyl)-1,3,5-triazine-2,4-diamine |
| Exact Mass | 253.165 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 253.165 |
| Hydrogen Bond Acceptor Count | 7.0 |
| Molecular Weight | 253.3 |
| 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/C10H19N7O/c1-6(2)12-8-14-9(13-7(3)4)16-10(15-8)17-11-5-18/h5-7H,1-4H3,(H,11,18)(H3,12,13,14,15,16,17) |
| Smiles | CC(C)NC1=NC(=NC(=N1)NNC=O)NC(C)C |
| Np Classifier Biosynthetic Pathway | Alkaloids |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
| Np Classifier Superclass | Pseudoalkaloids |
- 1. Outgoing r'ship
FOUND_INto/from Jatropha Curcas (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2014.886965