2-cyclopropylquinazoline-6-carbonitrile

C12H9N3 — CID 23082042

IUPAC2-cyclopropylquinazoline-6-carbonitrile
SMILESN#Cc1ccc2nc(C3CC3)ncc2c1
InChIInChI=1S/C12H9N3/c13-6-8-1-4-11-10(5-8)7-14-12(15-11)9-2-3-9/h1,4-5,7,9H,2-3H2
InChIKeyZAZDBXJQCDMSFD-UHFFFAOYSA-N
MW195.23 g/mol
LogP2.38
Rot. Bonds1

About 2-cyclopropylquinazoline-6-carbonitrile

2-cyclopropylquinazoline-6-carbonitrile (PubChem CID 23082042) has the molecular formula C12H9N3 and a molecular weight of 195.23 g/mol. Its IUPAC name is 2-cyclopropylquinazoline-6-carbonitrile.

Molecular Properties

Compound Name2-cyclopropylquinazoline-6-carbonitrile
PubChem CID23082042
Molecular FormulaC12H9N3
Molecular Weight195.23 g/mol
Exact Mass195.08
IUPAC Name2-cyclopropylquinazoline-6-carbonitrile
SMILESN#Cc1ccc2nc(C3CC3)ncc2c1
InChIInChI=1S/C12H9N3/c13-6-8-1-4-11-10(5-8)7-14-12(15-11)9-2-3-9/h1,4-5,7,9H,2-3H2
InChIKeyZAZDBXJQCDMSFD-UHFFFAOYSA-N
XLogP2.38
TPSA49.57 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.23
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-cyclopropylquinazoline-6-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 2-cyclopropylquinazoline-6-carbonitrile?
The IUPAC name of 2-cyclopropylquinazoline-6-carbonitrile (CID 23082042) is 2-cyclopropylquinazoline-6-carbonitrile.
What is the SMILES notation for 2-cyclopropylquinazoline-6-carbonitrile?
The canonical SMILES for 2-cyclopropylquinazoline-6-carbonitrile is N#Cc1ccc2nc(C3CC3)ncc2c1.
What is the InChIKey of 2-cyclopropylquinazoline-6-carbonitrile?
The InChIKey is ZAZDBXJQCDMSFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9N3/c13-6-8-1-4-11-10(5-8)7-14-12(15-11)9-2-3-9/h1,4-5,7,9H,2-3H2.
What are the key properties of 2-cyclopropylquinazoline-6-carbonitrile?
2-cyclopropylquinazoline-6-carbonitrile has a molecular weight of 195.23 g/mol, XLogP of 2.38, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropylquinazoline-6-carbonitrile is sourced from PubChem (CID 23082042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).