2-(5-Amino-1-methyl-1H-pyrazol-4-yl)acetonitrile
Basic information
- CAS
160662-05-5- Standard SMILES
Cn1ncc(CC#N)c1N- InChIKey
MPZBMUDIMNPQPQ-UHFFFAOYSA-N- Molecular formula
- C6H8N4
- Average molar mass
- 136.15 g/mol
- Monoisotopic mass
- 136.07489627
Names & identifiers
- Preferred name
- 2-(5-Amino-1-methyl-1H-pyrazol-4-yl)acetonitrile
- IUPAC
- 2-(5-amino-1-methylpyrazol-4-yl)acetonitrile
Names & synonyms
2-(5-Amino-1-methyl-1H-pyrazol-4-yl)acetonitrile160662-05-5KGA66205AKOS006348576EN300-16177812-(5-AMINO-1-METHYLPYRAZOL-4-YL)ACETONITRILE
Database identifiers
- CAS
160662-05-5- PubChem CID
- 10240863
- EC Number
- 196-496-2
Properties
Computed structural properties
- XLogP
- -0.5
- Topological polar surface area
- 67.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 158
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