N-benzyl-2-(1-(cyclopropylmethyl)-5-oxo-1H-1,2,4-triazol-4(5H)-yl)isonicotinamide
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Basic information
- Standard SMILES
O=C(NCc1ccccc1)c1ccnc(-n2cnn(CC3CC3)c2=O)c1- InChIKey
RSUOFDNOYZQJNN-UHFFFAOYSA-N- Molecular formula
- C19H19N5O2
- Average molar mass
- 349.4 g/mol
- Monoisotopic mass
- 349.15387487
Names & identifiers
- Preferred name
- N-benzyl-2-(1-(cyclopropylmethyl)-5-oxo-1H-1,2,4-triazol-4(5H)-yl)isonicotinamide
- IUPAC
- N-benzyl-2-[1-(cyclopropylmethyl)-5-oxo-1,2,4-triazol-4-yl]pyridine-4-carboxamide
Names & synonyms
SCHEMBL1767364RSUOFDNOYZQJNN-UHFFFAOYSA-NN-benzyl-2-(1-(cyclopropylmethyl)-5-oxo-1H-1,2,4-triazol-4(5H)-yl)isonicotinamide
Database identifiers
- PubChem CID
- 44553286
Properties
Computed structural propertiesFilling in
- XLogP
- 1.9
- Topological polar surface area
- 77.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 556
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Related reactions
1 records
Compound notes
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