3-Methylpyrido(3,4-b)pyrazin-2(1H)-one
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Basic information
- CAS
91983-45-8- Standard SMILES
Cc1nc2cnccc2[nH]c1=O- InChIKey
DHVODZREXYLNGL-UHFFFAOYSA-N- Molecular formula
- C8H7N3O
- Average molar mass
- 161.16 g/mol
- Monoisotopic mass
- 161.05891186
Names & identifiers
- Preferred name
- 3-Methylpyrido(3,4-b)pyrazin-2(1H)-one
- IUPAC
- 3-methyl-1H-pyrido[3,4-b]pyrazin-2-one
Names & synonyms
3-Methylpyrido[3,4-b]pyrazin-2(1H)-one91983-45-83-Methylpyrido(3,4-b)pyrazin-2(1H)-oneRefChem:2812053-methyl-1H-pyrido[3,4-b]pyrazin-2-oneSCHEMBL9110160DHVODZREXYLNGL-UHFFFAOYSA-NDTXSID5012843553-Methyl-1,4,6-triazanaphthalen-2(1H)-one1,4,6-Triazanaphthalene, 2-hydroxy-3-methyl-
Database identifiers
- CAS
91983-45-8- PubChem CID
- 21779136
- DTXSID
DTXSID501284355- Nikkaji
- J284.368D
Properties
Computed structural propertiesFilling in
- XLogP
- -0.4
- Topological polar surface area
- 54.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 236
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Related reactions
2 records
Compound notes
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