2-(4-aminoimidazol-1-yl)propanenitrile

C6H8N4 — CID 165466015

IUPAC2-(4-aminoimidazol-1-yl)propanenitrile
SMILESCC(C#N)n1cnc(N)c1
InChIInChI=1S/C6H8N4/c1-5(2-7)10-3-6(8)9-4-10/h3-5H,8H2,1H3
InChIKeyHYUZZFNDAJESDL-UHFFFAOYSA-N
MW136.16 g/mol
LogP0.55
Rot. Bonds1

About 2-(4-aminoimidazol-1-yl)propanenitrile

2-(4-aminoimidazol-1-yl)propanenitrile (PubChem CID 165466015) has the molecular formula C6H8N4 and a molecular weight of 136.16 g/mol. Its IUPAC name is 2-(4-aminoimidazol-1-yl)propanenitrile.

Molecular Properties

Compound Name2-(4-aminoimidazol-1-yl)propanenitrile
PubChem CID165466015
Molecular FormulaC6H8N4
Molecular Weight136.16 g/mol
Exact Mass136.07
IUPAC Name2-(4-aminoimidazol-1-yl)propanenitrile
SMILESCC(C#N)n1cnc(N)c1
InChIInChI=1S/C6H8N4/c1-5(2-7)10-3-6(8)9-4-10/h3-5H,8H2,1H3
InChIKeyHYUZZFNDAJESDL-UHFFFAOYSA-N
XLogP0.55
TPSA67.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.16
LogP ≤ 50.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(4-aminoimidazol-1-yl)propanenitrile 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-(4-aminoimidazol-1-yl)propanenitrile?
The IUPAC name of 2-(4-aminoimidazol-1-yl)propanenitrile (CID 165466015) is 2-(4-aminoimidazol-1-yl)propanenitrile.
What is the SMILES notation for 2-(4-aminoimidazol-1-yl)propanenitrile?
The canonical SMILES for 2-(4-aminoimidazol-1-yl)propanenitrile is CC(C#N)n1cnc(N)c1.
What is the InChIKey of 2-(4-aminoimidazol-1-yl)propanenitrile?
The InChIKey is HYUZZFNDAJESDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N4/c1-5(2-7)10-3-6(8)9-4-10/h3-5H,8H2,1H3.
What are the key properties of 2-(4-aminoimidazol-1-yl)propanenitrile?
2-(4-aminoimidazol-1-yl)propanenitrile has a molecular weight of 136.16 g/mol, XLogP of 0.55, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-aminoimidazol-1-yl)propanenitrile is sourced from PubChem (CID 165466015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).