4H-pyrido[1,2-a]pyrimidine-3-carbonitrile

C9H7N3 — CID 142662086

IUPAC4H-pyrido[1,2-a]pyrimidine-3-carbonitrile
SMILESN#CC1=CN=C2C=CC=CN2C1
InChIInChI=1S/C9H7N3/c10-5-8-6-11-9-3-1-2-4-12(9)7-8/h1-4,6H,7H2
InChIKeyVXVGLIDZJJSPTR-UHFFFAOYSA-N
MW157.18 g/mol
LogP1.19
Rot. Bonds

About 4H-pyrido[1,2-a]pyrimidine-3-carbonitrile

4H-pyrido[1,2-a]pyrimidine-3-carbonitrile (PubChem CID 142662086) has the molecular formula C9H7N3 and a molecular weight of 157.18 g/mol. Its IUPAC name is 4H-pyrido[1,2-a]pyrimidine-3-carbonitrile.

Molecular Properties

Compound Name4H-pyrido[1,2-a]pyrimidine-3-carbonitrile
PubChem CID142662086
Molecular FormulaC9H7N3
Molecular Weight157.18 g/mol
Exact Mass157.06
IUPAC Name4H-pyrido[1,2-a]pyrimidine-3-carbonitrile
SMILESN#CC1=CN=C2C=CC=CN2C1
InChIInChI=1S/C9H7N3/c10-5-8-6-11-9-3-1-2-4-12(9)7-8/h1-4,6H,7H2
InChIKeyVXVGLIDZJJSPTR-UHFFFAOYSA-N
XLogP1.19
TPSA39.39 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.18
LogP ≤ 51.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 4H-pyrido[1,2-a]pyrimidine-3-carbonitrile 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 4H-pyrido[1,2-a]pyrimidine-3-carbonitrile?
The IUPAC name of 4H-pyrido[1,2-a]pyrimidine-3-carbonitrile (CID 142662086) is 4H-pyrido[1,2-a]pyrimidine-3-carbonitrile.
What is the SMILES notation for 4H-pyrido[1,2-a]pyrimidine-3-carbonitrile?
The canonical SMILES for 4H-pyrido[1,2-a]pyrimidine-3-carbonitrile is N#CC1=CN=C2C=CC=CN2C1.
What is the InChIKey of 4H-pyrido[1,2-a]pyrimidine-3-carbonitrile?
The InChIKey is VXVGLIDZJJSPTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7N3/c10-5-8-6-11-9-3-1-2-4-12(9)7-8/h1-4,6H,7H2.
What are the key properties of 4H-pyrido[1,2-a]pyrimidine-3-carbonitrile?
4H-pyrido[1,2-a]pyrimidine-3-carbonitrile has a molecular weight of 157.18 g/mol, XLogP of 1.19, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4H-pyrido[1,2-a]pyrimidine-3-carbonitrile is sourced from PubChem (CID 142662086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).