1,2,3,9a-tetrahydropyrido[1,2-a]pyrimidin-4-one

C8H10N2O — CID 54218141

IUPAC1,2,3,9a-tetrahydropyrido[1,2-a]pyrimidin-4-one
SMILESO=C1CCNC2C=CC=CN12
InChIInChI=1S/C8H10N2O/c11-8-4-5-9-7-3-1-2-6-10(7)8/h1-3,6-7,9H,4-5H2
InChIKeyQAQFAJIIPMSBLZ-UHFFFAOYSA-N
MW150.18 g/mol
LogP0.22
Rot. Bonds

About 1,2,3,9a-tetrahydropyrido[1,2-a]pyrimidin-4-one

1,2,3,9a-tetrahydropyrido[1,2-a]pyrimidin-4-one (PubChem CID 54218141) has the molecular formula C8H10N2O and a molecular weight of 150.18 g/mol. Its IUPAC name is 1,2,3,9a-tetrahydropyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name1,2,3,9a-tetrahydropyrido[1,2-a]pyrimidin-4-one
PubChem CID54218141
Molecular FormulaC8H10N2O
Molecular Weight150.18 g/mol
Exact Mass150.08
IUPAC Name1,2,3,9a-tetrahydropyrido[1,2-a]pyrimidin-4-one
SMILESO=C1CCNC2C=CC=CN12
InChIInChI=1S/C8H10N2O/c11-8-4-5-9-7-3-1-2-6-10(7)8/h1-3,6-7,9H,4-5H2
InChIKeyQAQFAJIIPMSBLZ-UHFFFAOYSA-N
XLogP0.22
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.18
LogP ≤ 50.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1,2,3,9a-tetrahydropyrido[1,2-a]pyrimidin-4-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 1,2,3,9a-tetrahydropyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 1,2,3,9a-tetrahydropyrido[1,2-a]pyrimidin-4-one (CID 54218141) is 1,2,3,9a-tetrahydropyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 1,2,3,9a-tetrahydropyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 1,2,3,9a-tetrahydropyrido[1,2-a]pyrimidin-4-one is O=C1CCNC2C=CC=CN12.
What is the InChIKey of 1,2,3,9a-tetrahydropyrido[1,2-a]pyrimidin-4-one?
The InChIKey is QAQFAJIIPMSBLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O/c11-8-4-5-9-7-3-1-2-6-10(7)8/h1-3,6-7,9H,4-5H2.
What are the key properties of 1,2,3,9a-tetrahydropyrido[1,2-a]pyrimidin-4-one?
1,2,3,9a-tetrahydropyrido[1,2-a]pyrimidin-4-one has a molecular weight of 150.18 g/mol, XLogP of 0.22, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,9a-tetrahydropyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 54218141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).