3-aminoquinoxaline-2-carbonitrile

C9H6N4 — CID 4736915

IUPAC3-aminoquinoxaline-2-carbonitrile
SMILESN#Cc1nc2ccccc2nc1N
InChIInChI=1S/C9H6N4/c10-5-8-9(11)13-7-4-2-1-3-6(7)12-8/h1-4H,(H2,11,13)
InChIKeyLJOCOFBYDAMSSV-UHFFFAOYSA-N
MW170.17 g/mol
LogP1.08
Rot. Bonds

About 3-aminoquinoxaline-2-carbonitrile

3-aminoquinoxaline-2-carbonitrile (PubChem CID 4736915) has the molecular formula C9H6N4 and a molecular weight of 170.17 g/mol. Its IUPAC name is 3-aminoquinoxaline-2-carbonitrile.

Molecular Properties

Compound Name3-aminoquinoxaline-2-carbonitrile
PubChem CID4736915
Molecular FormulaC9H6N4
Molecular Weight170.17 g/mol
Exact Mass170.06
IUPAC Name3-aminoquinoxaline-2-carbonitrile
SMILESN#Cc1nc2ccccc2nc1N
InChIInChI=1S/C9H6N4/c10-5-8-9(11)13-7-4-2-1-3-6(7)12-8/h1-4H,(H2,11,13)
InChIKeyLJOCOFBYDAMSSV-UHFFFAOYSA-N
XLogP1.08
TPSA75.59 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.17
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-aminoquinoxaline-2-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 3-aminoquinoxaline-2-carbonitrile?
The IUPAC name of 3-aminoquinoxaline-2-carbonitrile (CID 4736915) is 3-aminoquinoxaline-2-carbonitrile.
What is the SMILES notation for 3-aminoquinoxaline-2-carbonitrile?
The canonical SMILES for 3-aminoquinoxaline-2-carbonitrile is N#Cc1nc2ccccc2nc1N.
What is the InChIKey of 3-aminoquinoxaline-2-carbonitrile?
The InChIKey is LJOCOFBYDAMSSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6N4/c10-5-8-9(11)13-7-4-2-1-3-6(7)12-8/h1-4H,(H2,11,13).
What are the key properties of 3-aminoquinoxaline-2-carbonitrile?
3-aminoquinoxaline-2-carbonitrile has a molecular weight of 170.17 g/mol, XLogP of 1.08, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-aminoquinoxaline-2-carbonitrile is sourced from PubChem (CID 4736915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).