5-chloro-6-(3-oxopiperazin-1-yl)pyridine-3-carbonitrile

C10H9ClN4O — CID 122160364

IUPAC5-chloro-6-(3-oxopiperazin-1-yl)pyridine-3-carbonitrile
SMILESN#Cc1cnc(N2CCNC(=O)C2)c(Cl)c1
InChIInChI=1S/C10H9ClN4O/c11-8-3-7(4-12)5-14-10(8)15-2-1-13-9(16)6-15/h3,5H,1-2,6H2,(H,13,16)
InChIKeyAAVYAZYOYLZBTG-UHFFFAOYSA-N
MW236.66 g/mol
LogP0.54
Rot. Bonds1

About 5-chloro-6-(3-oxopiperazin-1-yl)pyridine-3-carbonitrile

5-chloro-6-(3-oxopiperazin-1-yl)pyridine-3-carbonitrile (PubChem CID 122160364) has the molecular formula C10H9ClN4O and a molecular weight of 236.66 g/mol. Its IUPAC name is 5-chloro-6-(3-oxopiperazin-1-yl)pyridine-3-carbonitrile.

Molecular Properties

Compound Name5-chloro-6-(3-oxopiperazin-1-yl)pyridine-3-carbonitrile
PubChem CID122160364
Molecular FormulaC10H9ClN4O
Molecular Weight236.66 g/mol
Exact Mass236.05
IUPAC Name5-chloro-6-(3-oxopiperazin-1-yl)pyridine-3-carbonitrile
SMILESN#Cc1cnc(N2CCNC(=O)C2)c(Cl)c1
InChIInChI=1S/C10H9ClN4O/c11-8-3-7(4-12)5-14-10(8)15-2-1-13-9(16)6-15/h3,5H,1-2,6H2,(H,13,16)
InChIKeyAAVYAZYOYLZBTG-UHFFFAOYSA-N
XLogP0.54
TPSA69.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.66
LogP ≤ 50.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-chloro-6-(3-oxopiperazin-1-yl)pyridine-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 5-chloro-6-(3-oxopiperazin-1-yl)pyridine-3-carbonitrile?
The IUPAC name of 5-chloro-6-(3-oxopiperazin-1-yl)pyridine-3-carbonitrile (CID 122160364) is 5-chloro-6-(3-oxopiperazin-1-yl)pyridine-3-carbonitrile.
What is the SMILES notation for 5-chloro-6-(3-oxopiperazin-1-yl)pyridine-3-carbonitrile?
The canonical SMILES for 5-chloro-6-(3-oxopiperazin-1-yl)pyridine-3-carbonitrile is N#Cc1cnc(N2CCNC(=O)C2)c(Cl)c1.
What is the InChIKey of 5-chloro-6-(3-oxopiperazin-1-yl)pyridine-3-carbonitrile?
The InChIKey is AAVYAZYOYLZBTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClN4O/c11-8-3-7(4-12)5-14-10(8)15-2-1-13-9(16)6-15/h3,5H,1-2,6H2,(H,13,16).
What are the key properties of 5-chloro-6-(3-oxopiperazin-1-yl)pyridine-3-carbonitrile?
5-chloro-6-(3-oxopiperazin-1-yl)pyridine-3-carbonitrile has a molecular weight of 236.66 g/mol, XLogP of 0.54, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-6-(3-oxopiperazin-1-yl)pyridine-3-carbonitrile is sourced from PubChem (CID 122160364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).