Basic information
- CAS
35101-89-4- Standard SMILES
NC(=O)n1cncn1- InChIKey
RPJFBHRSEQTZDS-UHFFFAOYSA-N- Molecular formula
- C3H4N4O
- Average molar mass
- 112.09 g/mol
- Monoisotopic mass
- 112.03851076
Names & identifiers
- Preferred name
- 1h-1,2,4-Triazole-1-carboxamide
- IUPAC
- 1,2,4-triazole-1-carboxamide
- English name
- 1H-1,2,4-Triazole-1-carboxamide(9CI)
- Molecular formula
- C3H4N4O
- Molecular weight
- 112.09
Names & synonyms
1h-1,2,4-triazole-1-carboxamide35101-89-4DTXSID60301383RefChem:237051DTXCID50252517NSC1427971H-1,2,4-Triazole-1-carboxamide(9CI)1-carbamoyl-1,2,4-triazoleSCHEMBL1774032SCHEMBL7854311AKOS006339231NSC-142797
Database identifiers
- CAS
35101-89-4- PubChem CID
- 285657
- DTXSID
DTXSID60301383
Properties
Computed structural properties
- XLogP
- -0.7
- Topological polar surface area
- 73.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 8
- Formal charge
- 0
- Complexity
- 103
Physicochemical properties
- Boiling point
- 325.2 · 325.2±25.0 °C(Predicted)
- Density
- 1.69 · 1.69±0.1 g/cm3(Predicted)
- pka
- 10.97 · 10.97±0.50(Predicted)
Chemistry & industry
Suppliers1 total
山东博洛达生物科技有限公司0531-68651502 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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