Basic information
- CAS
13976-18-6- Standard SMILES
O=CNc1nc[nH]c1-c1ncnn1Cc1ccccc1- InChIKey
NJFLVUQBSPQFAW-UHFFFAOYSA-N- Molecular formula
- C13H12N6O
- Average molar mass
- 268.27 g/mol
- Monoisotopic mass
- 268.10725903
Names & identifiers
- Preferred name
- N-[(5E)-5-(2-benzyl-1H-1,2,4-triazol-3-ylidene)imidazol-4-yl]formamide
- IUPAC
- N-[5-(2-benzyl-1,2,4-triazol-3-yl)-1H-imidazol-4-yl]formamide
Names & synonyms
13976-18-6NSC101500N-[(5E)-5-(2-benzyl-1H-1,2,4-triazol-3-ylidene)imidazol-4-yl]formamideDTXSID70418931NSC-101500N-[(4E)-4-(2-Benzyl-1,2-dihydro-3H-1,2,4-triazol-3-ylidene)-4H-imidazol-5-yl]formamide
Database identifiers
- CAS
13976-18-6- PubChem CID
- 265459
- DTXSID
DTXSID70418931
Properties
Computed structural properties
- XLogP
- 1
- Topological polar surface area
- 88.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 322
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…