N5-[(4-Methylphenyl)methyl]-1H-1,2,4-triazole-3,5-diamine
Basic information
- CAS
878713-18-9- Standard SMILES
Cc1ccc(CNc2n[nH]c(N)n2)cc1- InChIKey
SLHNRUFBMRWCLR-UHFFFAOYSA-N- Molecular formula
- C10H13N5
- Average molar mass
- 203.24 g/mol
- Monoisotopic mass
- 203.11709544
Names & identifiers
- Preferred name
- N5-[(4-Methylphenyl)methyl]-1H-1,2,4-triazole-3,5-diamine
- IUPAC
- 3-N-[(4-methylphenyl)methyl]-1H-1,2,4-triazole-3,5-diamine
Names & synonyms
CHEMBL483789DTXSID201196604N5-[(4-Methylphenyl)methyl]-1H-1,2,4-triazole-3,5-diamineAKOS000744144AKOS015621662878713-18-9N~3~-[(4-Methylphenyl)methyl]-4H-1,2,4-triazole-3,5-diamine
Database identifiers
- CAS
878713-18-9- PubChem CID
- 6491995
- DTXSID
DTXSID201196604- ChEMBL
CHEMBL483789
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 79.6 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 190
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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