2-Amino-3-cyano-5-methoxymethylpyrazine
Basic information
- CAS
40127-92-2- Standard SMILES
COCc1cnc(N)c(C#N)n1- InChIKey
PZGWUZUJYKDJGA-UHFFFAOYSA-N- Molecular formula
- C7H8N4O
- Average molar mass
- 164.16 g/mol
- Monoisotopic mass
- 164.06981088
Names & identifiers
- Preferred name
- 2-Amino-3-cyano-5-methoxymethylpyrazine
- IUPAC
- 3-amino-6-(methoxymethyl)pyrazine-2-carbonitrile
Names & synonyms
40127-92-22-amino-3-cyano-5-methoxymethylpyrazine3-amino-6-(methoxymethyl)pyrazine-2-carbonitrileSCHEMBL10618564PZGWUZUJYKDJGA-UHFFFAOYSA-NDTXSID6012379953-Amino-6-(methoxymethyl)-2-pyrazinecarbonitrile
Database identifiers
- CAS
40127-92-2- PubChem CID
- 20164136
- DTXSID
DTXSID601237995
Properties
Computed structural properties
- XLogP
- -0.3
- Topological polar surface area
- 84.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 187
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Related reactions
3 records
Compound notes
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