4H-pyrido[3,4-b]pyrazin-3-one

C7H5N3O — CID 28812113

IUPAC4H-pyrido[3,4-b]pyrazin-3-one
SMILESO=c1cnc2ccncc2[nH]1
InChIInChI=1S/C7H5N3O/c11-7-4-9-5-1-2-8-3-6(5)10-7/h1-4H,(H,10,11)
InChIKeyDPUUMESTNLIFDE-UHFFFAOYSA-N
MW147.14 g/mol
LogP0.32
Rot. Bonds

About 4H-pyrido[3,4-b]pyrazin-3-one

4H-pyrido[3,4-b]pyrazin-3-one (PubChem CID 28812113) has the molecular formula C7H5N3O and a molecular weight of 147.14 g/mol. Its IUPAC name is 4H-pyrido[3,4-b]pyrazin-3-one.

Molecular Properties

Compound Name4H-pyrido[3,4-b]pyrazin-3-one
PubChem CID28812113
Molecular FormulaC7H5N3O
Molecular Weight147.14 g/mol
Exact Mass147.04
IUPAC Name4H-pyrido[3,4-b]pyrazin-3-one
SMILESO=c1cnc2ccncc2[nH]1
InChIInChI=1S/C7H5N3O/c11-7-4-9-5-1-2-8-3-6(5)10-7/h1-4H,(H,10,11)
InChIKeyDPUUMESTNLIFDE-UHFFFAOYSA-N
XLogP0.32
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.14
LogP ≤ 50.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4H-pyrido[3,4-b]pyrazin-3-one?
The IUPAC name of 4H-pyrido[3,4-b]pyrazin-3-one (CID 28812113) is 4H-pyrido[3,4-b]pyrazin-3-one.
What is the SMILES notation for 4H-pyrido[3,4-b]pyrazin-3-one?
The canonical SMILES for 4H-pyrido[3,4-b]pyrazin-3-one is O=c1cnc2ccncc2[nH]1.
What is the InChIKey of 4H-pyrido[3,4-b]pyrazin-3-one?
The InChIKey is DPUUMESTNLIFDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5N3O/c11-7-4-9-5-1-2-8-3-6(5)10-7/h1-4H,(H,10,11).
What are the key properties of 4H-pyrido[3,4-b]pyrazin-3-one?
4H-pyrido[3,4-b]pyrazin-3-one has a molecular weight of 147.14 g/mol, XLogP of 0.32, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4H-pyrido[3,4-b]pyrazin-3-one is sourced from PubChem (CID 28812113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).