Basic information
- CAS
78218-58-3- Standard SMILES
CNP(=O)(NC)n1nc(-c2ccccc2)nc1N- InChIKey
MTIQGZGLHBNOCL-UHFFFAOYSA-N- Molecular formula
- C10H15N6OP
- Average molar mass
- 266.24 g/mol
- Monoisotopic mass
- 266.10449612
Names & identifiers
- Preferred name
- Phosphonic diamide, (5-amino-3-phenyl-1H-1,2,4-triazol-1-yl)N,N'-dimethyl
- IUPAC
- 2-[bis(methylamino)phosphoryl]-5-phenyl-1,2,4-triazol-3-amine
Names & synonyms
Phosphonic diamide, (5-amino-3-phenyl-1H-1,2,4-triazol-1-yl)N,N'-dimethyl78218-58-3DTXSID80228881RefChem:1095201DTXCID30151372WP258BRN 08120213-Amino-2-(bis(methylamide)phosphoryl-5-phenyl)-1,2,4-triazole3-Amino-2-(bis(methylamine)phosphoryl-5-phenyl)-1,2,4-triazole3-Amino-2-(bis(methylamino)phosphoryl-5-phenyl)-1,2,4-triazole((5-Amino-3-phenyl)-1H-1,2,4-triazol-1-yl)-N,N'-dimethylphosphonic diamideP-(5-Amino-3-phenyl-1H-1,2,4-triazol-1-yl)-N,N'-dimethylphosphonic diamide
Database identifiers
- CAS
78218-58-3- PubChem CID
- 3060554
- DTXSID
DTXSID80228881- Nikkaji
- J92.124F
Properties
Computed structural properties
- XLogP
- 0.8
- Topological polar surface area
- 97.9 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 313
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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