Methyl 3-propionamido-1H-1,2,4-triazole-5-carboxylate
Completing data — refresh the page later to see the latest
Basic information
- CAS
326186-20-3- Standard SMILES
CCC(=O)Nc1nc(C(=O)OC)n[nH]1- InChIKey
SJHJNPJVSFNYNW-UHFFFAOYSA-N- Molecular formula
- C7H10N4O3
- Average molar mass
- 198.18 g/mol
- Monoisotopic mass
- 198.07529019
Names & identifiers
- Preferred name
- Methyl 3-propionamido-1H-1,2,4-triazole-5-carboxylate
- IUPAC
- methyl 3-(propanoylamino)-1H-1,2,4-triazole-5-carboxylate
- English name
- 1H-1,2,4-Triazole-3-carboxylicacid,5-[(1-oxopropyl)amino]-,methylester(9CI)
- Molecular formula
- C7H10N4O3
- Molecular weight
- 198.18
Names & synonyms
Methyl 3-propionamido-1H-1,2,4-triazole-5-carboxylate326186-20-31H-1,2,4-Triazole-3-carboxylic acid, 5-[(1-oxopropyl)amino]-, methyl ester1H-1,2,4-Triazole-3-carboxylicacid,5-[(1-oxopropyl)amino]-,methylester(9CI)
Database identifiers
- CAS
326186-20-3- PubChem CID
- 2314184
Properties
Computed structural propertiesFilling in
- XLogP
- 0.2
- Topological polar surface area
- 97 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 233
Physicochemical properties
- Density
- 1.398 · 1.398±0.06 g/cm3(Predicted)
- pka
- 6.58 · 6.58±0.40(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…