Basic information
- CAS
87253-79-0- Standard SMILES
Nc1nc(NCc2ccc(F)cc2)n[nH]1- InChIKey
DWMZEXJSDVKUNM-UHFFFAOYSA-N- Molecular formula
- C9H10FN5
- Average molar mass
- 207.21 g/mol
- Monoisotopic mass
- 207.0920235
Names & identifiers
- Preferred name
- 1H-1,2,4-Triazole-3,5-diamine, N-[(4-fluorophenyl)methyl]-
- IUPAC
- 3-N-[(4-fluorophenyl)methyl]-1H-1,2,4-triazole-3,5-diamine
Names & synonyms
87253-79-01H-1,2,4-Triazole-3,5-diamine, N-[(4-fluorophenyl)methyl]-CHEMBL499085SCHEMBL17742105DTXSID40424620AKOS015151754AKOS025154295N~3~-[(4-Fluorophenyl)methyl]-1H-1,2,4-triazole-3,5-diamine
Database identifiers
- CAS
87253-79-0- PubChem CID
- 6491997
- DTXSID
DTXSID40424620- ChEMBL
CHEMBL499085
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 79.6 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 195
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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