2,4,4a,8a-tetrahydro-1H-pyrido[3,4-b]pyrazin-3-one

C7H9N3O — CID 118607940

IUPAC2,4,4a,8a-tetrahydro-1H-pyrido[3,4-b]pyrazin-3-one
SMILESO=C1CNC2C=CN=CC2N1
InChIInChI=1S/C7H9N3O/c11-7-4-9-5-1-2-8-3-6(5)10-7/h1-3,5-6,9H,4H2,(H,10,11)
InChIKeyVBQOYLKYXSRAPB-UHFFFAOYSA-N
MW151.17 g/mol
LogP-0.96
Rot. Bonds

About 2,4,4a,8a-tetrahydro-1H-pyrido[3,4-b]pyrazin-3-one

2,4,4a,8a-tetrahydro-1H-pyrido[3,4-b]pyrazin-3-one (PubChem CID 118607940) has the molecular formula C7H9N3O and a molecular weight of 151.17 g/mol. Its IUPAC name is 2,4,4a,8a-tetrahydro-1H-pyrido[3,4-b]pyrazin-3-one.

Molecular Properties

Compound Name2,4,4a,8a-tetrahydro-1H-pyrido[3,4-b]pyrazin-3-one
PubChem CID118607940
Molecular FormulaC7H9N3O
Molecular Weight151.17 g/mol
Exact Mass151.07
IUPAC Name2,4,4a,8a-tetrahydro-1H-pyrido[3,4-b]pyrazin-3-one
SMILESO=C1CNC2C=CN=CC2N1
InChIInChI=1S/C7H9N3O/c11-7-4-9-5-1-2-8-3-6(5)10-7/h1-3,5-6,9H,4H2,(H,10,11)
InChIKeyVBQOYLKYXSRAPB-UHFFFAOYSA-N
XLogP-0.96
TPSA53.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.17
LogP ≤ 5-0.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,4,4a,8a-tetrahydro-1H-pyrido[3,4-b]pyrazin-3-one?
The IUPAC name of 2,4,4a,8a-tetrahydro-1H-pyrido[3,4-b]pyrazin-3-one (CID 118607940) is 2,4,4a,8a-tetrahydro-1H-pyrido[3,4-b]pyrazin-3-one.
What is the SMILES notation for 2,4,4a,8a-tetrahydro-1H-pyrido[3,4-b]pyrazin-3-one?
The canonical SMILES for 2,4,4a,8a-tetrahydro-1H-pyrido[3,4-b]pyrazin-3-one is O=C1CNC2C=CN=CC2N1.
What is the InChIKey of 2,4,4a,8a-tetrahydro-1H-pyrido[3,4-b]pyrazin-3-one?
The InChIKey is VBQOYLKYXSRAPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N3O/c11-7-4-9-5-1-2-8-3-6(5)10-7/h1-3,5-6,9H,4H2,(H,10,11).
What are the key properties of 2,4,4a,8a-tetrahydro-1H-pyrido[3,4-b]pyrazin-3-one?
2,4,4a,8a-tetrahydro-1H-pyrido[3,4-b]pyrazin-3-one has a molecular weight of 151.17 g/mol, XLogP of -0.96, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,4a,8a-tetrahydro-1H-pyrido[3,4-b]pyrazin-3-one is sourced from PubChem (CID 118607940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).