2,6,7,8,9,9a-hexahydropyrido[1,2-a]pyrazin-1-one

C8H12N2O — CID 67281777

IUPAC2,6,7,8,9,9a-hexahydropyrido[1,2-a]pyrazin-1-one
SMILESO=C1NC=CN2CCCCC12
InChIInChI=1S/C8H12N2O/c11-8-7-3-1-2-5-10(7)6-4-9-8/h4,6-7H,1-3,5H2,(H,9,11)
InChIKeyXLHCFSQKBVRCJA-UHFFFAOYSA-N
MW152.20 g/mol
LogP0.44
Rot. Bonds

About 2,6,7,8,9,9a-hexahydropyrido[1,2-a]pyrazin-1-one

2,6,7,8,9,9a-hexahydropyrido[1,2-a]pyrazin-1-one (PubChem CID 67281777) has the molecular formula C8H12N2O and a molecular weight of 152.20 g/mol. Its IUPAC name is 2,6,7,8,9,9a-hexahydropyrido[1,2-a]pyrazin-1-one.

Molecular Properties

Compound Name2,6,7,8,9,9a-hexahydropyrido[1,2-a]pyrazin-1-one
PubChem CID67281777
Molecular FormulaC8H12N2O
Molecular Weight152.20 g/mol
Exact Mass152.09
IUPAC Name2,6,7,8,9,9a-hexahydropyrido[1,2-a]pyrazin-1-one
SMILESO=C1NC=CN2CCCCC12
InChIInChI=1S/C8H12N2O/c11-8-7-3-1-2-5-10(7)6-4-9-8/h4,6-7H,1-3,5H2,(H,9,11)
InChIKeyXLHCFSQKBVRCJA-UHFFFAOYSA-N
XLogP0.44
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.20
LogP ≤ 50.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2,6,7,8,9,9a-hexahydropyrido[1,2-a]pyrazin-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2,6,7,8,9,9a-hexahydropyrido[1,2-a]pyrazin-1-one?
The IUPAC name of 2,6,7,8,9,9a-hexahydropyrido[1,2-a]pyrazin-1-one (CID 67281777) is 2,6,7,8,9,9a-hexahydropyrido[1,2-a]pyrazin-1-one.
What is the SMILES notation for 2,6,7,8,9,9a-hexahydropyrido[1,2-a]pyrazin-1-one?
The canonical SMILES for 2,6,7,8,9,9a-hexahydropyrido[1,2-a]pyrazin-1-one is O=C1NC=CN2CCCCC12.
What is the InChIKey of 2,6,7,8,9,9a-hexahydropyrido[1,2-a]pyrazin-1-one?
The InChIKey is XLHCFSQKBVRCJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O/c11-8-7-3-1-2-5-10(7)6-4-9-8/h4,6-7H,1-3,5H2,(H,9,11).
What are the key properties of 2,6,7,8,9,9a-hexahydropyrido[1,2-a]pyrazin-1-one?
2,6,7,8,9,9a-hexahydropyrido[1,2-a]pyrazin-1-one has a molecular weight of 152.20 g/mol, XLogP of 0.44, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6,7,8,9,9a-hexahydropyrido[1,2-a]pyrazin-1-one is sourced from PubChem (CID 67281777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).