2-methyl-1-propylimidazole-4,5-dicarbonitrile

C9H10N4 — CID 130708369

IUPAC2-methyl-1-propylimidazole-4,5-dicarbonitrile
SMILESCCCn1c(C)nc(C#N)c1C#N
InChIInChI=1S/C9H10N4/c1-3-4-13-7(2)12-8(5-10)9(13)6-11/h3-4H2,1-2H3
InChIKeyADWIFXZRUUPZNH-UHFFFAOYSA-N
MW174.21 g/mol
LogP1.34
Rot. Bonds2

About 2-methyl-1-propylimidazole-4,5-dicarbonitrile

2-methyl-1-propylimidazole-4,5-dicarbonitrile (PubChem CID 130708369) has the molecular formula C9H10N4 and a molecular weight of 174.21 g/mol. Its IUPAC name is 2-methyl-1-propylimidazole-4,5-dicarbonitrile.

Molecular Properties

Compound Name2-methyl-1-propylimidazole-4,5-dicarbonitrile
PubChem CID130708369
Molecular FormulaC9H10N4
Molecular Weight174.21 g/mol
Exact Mass174.09
IUPAC Name2-methyl-1-propylimidazole-4,5-dicarbonitrile
SMILESCCCn1c(C)nc(C#N)c1C#N
InChIInChI=1S/C9H10N4/c1-3-4-13-7(2)12-8(5-10)9(13)6-11/h3-4H2,1-2H3
InChIKeyADWIFXZRUUPZNH-UHFFFAOYSA-N
XLogP1.34
TPSA65.40 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.21
LogP ≤ 51.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-methyl-1-propylimidazole-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 2-methyl-1-propylimidazole-4,5-dicarbonitrile?
The IUPAC name of 2-methyl-1-propylimidazole-4,5-dicarbonitrile (CID 130708369) is 2-methyl-1-propylimidazole-4,5-dicarbonitrile.
What is the SMILES notation for 2-methyl-1-propylimidazole-4,5-dicarbonitrile?
The canonical SMILES for 2-methyl-1-propylimidazole-4,5-dicarbonitrile is CCCn1c(C)nc(C#N)c1C#N.
What is the InChIKey of 2-methyl-1-propylimidazole-4,5-dicarbonitrile?
The InChIKey is ADWIFXZRUUPZNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N4/c1-3-4-13-7(2)12-8(5-10)9(13)6-11/h3-4H2,1-2H3.
What are the key properties of 2-methyl-1-propylimidazole-4,5-dicarbonitrile?
2-methyl-1-propylimidazole-4,5-dicarbonitrile has a molecular weight of 174.21 g/mol, XLogP of 1.34, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-propylimidazole-4,5-dicarbonitrile is sourced from PubChem (CID 130708369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).