2-(1H-pyrazin-2-ylidene)propanedinitrile

C7H4N4 — CID 13234510

IUPAC2-(1H-pyrazin-2-ylidene)propanedinitrile
SMILESN#CC(C#N)=C1C=NC=CN1
InChIInChI=1S/C7H4N4/c8-3-6(4-9)7-5-10-1-2-11-7/h1-2,5,11H
InChIKeyITVKHRDLCOQNGG-UHFFFAOYSA-N
MW144.14 g/mol
LogP0.43
Rot. Bonds

About 2-(1H-pyrazin-2-ylidene)propanedinitrile

2-(1H-pyrazin-2-ylidene)propanedinitrile (PubChem CID 13234510) has the molecular formula C7H4N4 and a molecular weight of 144.14 g/mol. Its IUPAC name is 2-(1H-pyrazin-2-ylidene)propanedinitrile.

Molecular Properties

Compound Name2-(1H-pyrazin-2-ylidene)propanedinitrile
PubChem CID13234510
Molecular FormulaC7H4N4
Molecular Weight144.14 g/mol
Exact Mass144.04
IUPAC Name2-(1H-pyrazin-2-ylidene)propanedinitrile
SMILESN#CC(C#N)=C1C=NC=CN1
InChIInChI=1S/C7H4N4/c8-3-6(4-9)7-5-10-1-2-11-7/h1-2,5,11H
InChIKeyITVKHRDLCOQNGG-UHFFFAOYSA-N
XLogP0.43
TPSA71.97 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.14
LogP ≤ 50.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'conjugated_nitrile_group', 'substructure': 'N/A'}

Analyze 2-(1H-pyrazin-2-ylidene)propanedinitrile 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-(1H-pyrazin-2-ylidene)propanedinitrile?
The IUPAC name of 2-(1H-pyrazin-2-ylidene)propanedinitrile (CID 13234510) is 2-(1H-pyrazin-2-ylidene)propanedinitrile.
What is the SMILES notation for 2-(1H-pyrazin-2-ylidene)propanedinitrile?
The canonical SMILES for 2-(1H-pyrazin-2-ylidene)propanedinitrile is N#CC(C#N)=C1C=NC=CN1.
What is the InChIKey of 2-(1H-pyrazin-2-ylidene)propanedinitrile?
The InChIKey is ITVKHRDLCOQNGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4N4/c8-3-6(4-9)7-5-10-1-2-11-7/h1-2,5,11H.
What are the key properties of 2-(1H-pyrazin-2-ylidene)propanedinitrile?
2-(1H-pyrazin-2-ylidene)propanedinitrile has a molecular weight of 144.14 g/mol, XLogP of 0.43, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-pyrazin-2-ylidene)propanedinitrile is sourced from PubChem (CID 13234510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).