2,4-dihydro-1H-pyrido[3,4-b]pyrazin-3-one

C7H7N3O — CID 18645755

IUPAC2,4-dihydro-1H-pyrido[3,4-b]pyrazin-3-one
SMILESO=C1CNc2ccncc2N1
InChIInChI=1S/C7H7N3O/c11-7-4-9-5-1-2-8-3-6(5)10-7/h1-3,9H,4H2,(H,10,11)
InChIKeyMJNNGMNZUQSJNV-UHFFFAOYSA-N
MW149.15 g/mol
LogP0.45
Rot. Bonds

About 2,4-dihydro-1H-pyrido[3,4-b]pyrazin-3-one

2,4-dihydro-1H-pyrido[3,4-b]pyrazin-3-one (PubChem CID 18645755) has the molecular formula C7H7N3O and a molecular weight of 149.15 g/mol. Its IUPAC name is 2,4-dihydro-1H-pyrido[3,4-b]pyrazin-3-one.

Molecular Properties

Compound Name2,4-dihydro-1H-pyrido[3,4-b]pyrazin-3-one
PubChem CID18645755
Molecular FormulaC7H7N3O
Molecular Weight149.15 g/mol
Exact Mass149.06
IUPAC Name2,4-dihydro-1H-pyrido[3,4-b]pyrazin-3-one
SMILESO=C1CNc2ccncc2N1
InChIInChI=1S/C7H7N3O/c11-7-4-9-5-1-2-8-3-6(5)10-7/h1-3,9H,4H2,(H,10,11)
InChIKeyMJNNGMNZUQSJNV-UHFFFAOYSA-N
XLogP0.45
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.15
LogP ≤ 50.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3,4-Diaminopyridine
CID 5918
N-Pyridin-4-ylacetamide
CID 21288
Pyrido(2,3-b)pyrazine-2,3-diol
CID 74947
1-(4-Pyridyl)piperazine
CID 70517
3-Acetamidopyridine
CID 79978
N-phenyl-N'-pyridin-3-yloxamide
CID 1949535
N-(pyridin-3-yl)prop-2-enamide
CID 43616243
1,4-Dihydropyrido[3,4-b]pyrazine-2,3-dione
CID 10797083
2-cyano-N-(pyridin-4-yl)acetamide
CID 2806410
N~1~,N~3~-di(3-pyridinyl)malonamide
CID 1472074
2-[(E)-Hydroxyimino]-N-pyridin-3-yl-acetamide
CID 9563614
4-N-methylpyridine-3,4-diamine
CID 910412

Frequently Asked Questions

What is the IUPAC name of 2,4-dihydro-1H-pyrido[3,4-b]pyrazin-3-one?
The IUPAC name of 2,4-dihydro-1H-pyrido[3,4-b]pyrazin-3-one (CID 18645755) is 2,4-dihydro-1H-pyrido[3,4-b]pyrazin-3-one.
What is the SMILES notation for 2,4-dihydro-1H-pyrido[3,4-b]pyrazin-3-one?
The canonical SMILES for 2,4-dihydro-1H-pyrido[3,4-b]pyrazin-3-one is O=C1CNc2ccncc2N1.
What is the InChIKey of 2,4-dihydro-1H-pyrido[3,4-b]pyrazin-3-one?
The InChIKey is MJNNGMNZUQSJNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7N3O/c11-7-4-9-5-1-2-8-3-6(5)10-7/h1-3,9H,4H2,(H,10,11).
What are the key properties of 2,4-dihydro-1H-pyrido[3,4-b]pyrazin-3-one?
2,4-dihydro-1H-pyrido[3,4-b]pyrazin-3-one has a molecular weight of 149.15 g/mol, XLogP of 0.45, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dihydro-1H-pyrido[3,4-b]pyrazin-3-one is sourced from PubChem (CID 18645755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).