1-cinnolin-4-ylimidazole-4,5-dicarbonitrile

C13H6N6 — CID 112595843

IUPAC1-cinnolin-4-ylimidazole-4,5-dicarbonitrile
SMILESN#Cc1ncn(-c2cnnc3ccccc23)c1C#N
InChIInChI=1S/C13H6N6/c14-5-11-12(6-15)19(8-16-11)13-7-17-18-10-4-2-1-3-9(10)13/h1-4,7-8H
InChIKeyHKZZJNPVUBIEHG-UHFFFAOYSA-N
MW246.23 g/mol
LogP1.56
Rot. Bonds1

About 1-cinnolin-4-ylimidazole-4,5-dicarbonitrile

1-cinnolin-4-ylimidazole-4,5-dicarbonitrile (PubChem CID 112595843) has the molecular formula C13H6N6 and a molecular weight of 246.23 g/mol. Its IUPAC name is 1-cinnolin-4-ylimidazole-4,5-dicarbonitrile.

Molecular Properties

Compound Name1-cinnolin-4-ylimidazole-4,5-dicarbonitrile
PubChem CID112595843
Molecular FormulaC13H6N6
Molecular Weight246.23 g/mol
Exact Mass246.07
IUPAC Name1-cinnolin-4-ylimidazole-4,5-dicarbonitrile
SMILESN#Cc1ncn(-c2cnnc3ccccc23)c1C#N
InChIInChI=1S/C13H6N6/c14-5-11-12(6-15)19(8-16-11)13-7-17-18-10-4-2-1-3-9(10)13/h1-4,7-8H
InChIKeyHKZZJNPVUBIEHG-UHFFFAOYSA-N
XLogP1.56
TPSA91.18 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.23
LogP ≤ 51.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 1-cinnolin-4-ylimidazole-4,5-dicarbonitrile 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-cinnolin-4-ylimidazole-4,5-dicarbonitrile?
The IUPAC name of 1-cinnolin-4-ylimidazole-4,5-dicarbonitrile (CID 112595843) is 1-cinnolin-4-ylimidazole-4,5-dicarbonitrile.
What is the SMILES notation for 1-cinnolin-4-ylimidazole-4,5-dicarbonitrile?
The canonical SMILES for 1-cinnolin-4-ylimidazole-4,5-dicarbonitrile is N#Cc1ncn(-c2cnnc3ccccc23)c1C#N.
What is the InChIKey of 1-cinnolin-4-ylimidazole-4,5-dicarbonitrile?
The InChIKey is HKZZJNPVUBIEHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H6N6/c14-5-11-12(6-15)19(8-16-11)13-7-17-18-10-4-2-1-3-9(10)13/h1-4,7-8H.
What are the key properties of 1-cinnolin-4-ylimidazole-4,5-dicarbonitrile?
1-cinnolin-4-ylimidazole-4,5-dicarbonitrile has a molecular weight of 246.23 g/mol, XLogP of 1.56, 1 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cinnolin-4-ylimidazole-4,5-dicarbonitrile is sourced from PubChem (CID 112595843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).