Basic information
- CAS
1502098-03-4- Standard SMILES
CCc1nc(C(=O)N(C)Cc2ccc(C(N)=O)cc2)n[nH]1- InChIKey
ZEEKEMLSTFKZRG-UHFFFAOYSA-N- Molecular formula
- C14H17N5O2
- Average molar mass
- 287.32 g/mol
- Monoisotopic mass
- 287.1382248
Names & identifiers
- Preferred name
- N-[(4-Carbamoylphenyl)methyl]-5-ethyl-N-methyl-4H-1,2,4-triazole-3-carboxamide
- IUPAC
- N-[(4-carbamoylphenyl)methyl]-5-ethyl-N-methyl-1H-1,2,4-triazole-3-carboxamide
Names & synonyms
DTXSID201126057AKOS0189413151H-1,2,4-Triazole-5-carboxamide, N-[[4-(aminocarbonyl)phenyl]methyl]-3-ethyl-N-methyl-N-[(4-Carbamoylphenyl)methyl]-5-ethyl-N-methyl-4H-1,2,4-triazole-3-carboxamide1502098-03-4
Database identifiers
- CAS
1502098-03-4- PubChem CID
- 80378303
- DTXSID
DTXSID201126057
Properties
Computed structural properties
- XLogP
- 1
- Topological polar surface area
- 105 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 382
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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