N-butan-2-yl-3-formamido-N-methyl-1,2,4-triazole-1-carboxamide
Basic information
- CAS
6494-13-9- Standard SMILES
CCC(C)N(C)C(=O)n1cnc(NC=O)n1- InChIKey
HNURKAGQUCOHDE-UHFFFAOYSA-N- Molecular formula
- C9H15N5O2
- Average molar mass
- 225.25 g/mol
- Monoisotopic mass
- 225.12257474
Names & identifiers
- Preferred name
- N-butan-2-yl-3-formamido-N-methyl-1,2,4-triazole-1-carboxamide
- IUPAC
- N-butan-2-yl-3-formamido-N-methyl-1,2,4-triazole-1-carboxamide
Names & synonyms
N-butan-2-yl-3-formamido-N-methyl-1,2,4-triazole-1-carboxamide6494-13-9DTXSID30274737N-(Butan-2-yl)-3-formamido-N-methyl-1H-1,2,4-triazole-1-carboxamide
Database identifiers
- CAS
6494-13-9- PubChem CID
- 22996
- DTXSID
DTXSID30274737
Properties
Computed structural properties
- XLogP
- 0.7
- Topological polar surface area
- 80.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 260
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Compound notes
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