Basic information
- CAS
111035-35-9- Standard SMILES
CC(C)c1cnc(C(N)=O)cn1- InChIKey
YWMNNJNYUBPZCL-UHFFFAOYSA-N- Molecular formula
- C8H11N3O
- Average molar mass
- 165.19 g/mol
- Monoisotopic mass
- 165.09021198
Names & identifiers
- Preferred name
- 5-Propan-2-ylpyrazine-2-carboxamide
- IUPAC
- 5-propan-2-ylpyrazine-2-carboxamide
- English name
- Pyrazinecarboxamide, 5-(1-methylethyl)- (9CI)
- Molecular formula
- C8H11N3O
- Molecular weight
- 165.19
Names & synonyms
111035-35-95-propan-2-ylpyrazine-2-carboxamidePyrazinecarboxamide, 5-(1-methylethyl)- (9CI)2-Pyrazinecarboxamide, 5-(1-methylethyl)-SCHEMBL2628913DTXSID60911946Pyrazinecarboxamide, 5-(1-methylethyl)-DB-2890675-(Propan-2-yl)pyrazine-2-carboximidic acid
Database identifiers
- CAS
111035-35-9- PubChem CID
- 183153
- DTXSID
DTXSID60911946
Properties
Computed structural properties
- XLogP
- 0.5
- Topological polar surface area
- 68.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 170
Physicochemical properties
- Melting point
- 152 · 152-153 °C
- Boiling point
- 315 · 315.0±42.0 °C(Predicted)
- Density
- 1.141 · 1.141±0.06 g/cm3(Predicted)
- pka
- 14.1 · 14.10±0.50(Predicted)
Chemistry & industry
Suppliers1 total
CHEMSTEP[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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