2-[(4-ethyl-2-methylimidazol-1-yl)amino]propanenitrile

C9H14N4 — CID 19796037

IUPAC2-[(4-ethyl-2-methylimidazol-1-yl)amino]propanenitrile
SMILESCCc1cn(NC(C)C#N)c(C)n1
InChIInChI=1S/C9H14N4/c1-4-9-6-13(8(3)11-9)12-7(2)5-10/h6-7,12H,4H2,1-3H3
InChIKeyUNVWSLKYQXEAHW-UHFFFAOYSA-N
MW178.24 g/mol
LogP1.21
Rot. Bonds3

About 2-[(4-ethyl-2-methylimidazol-1-yl)amino]propanenitrile

2-[(4-ethyl-2-methylimidazol-1-yl)amino]propanenitrile (PubChem CID 19796037) has the molecular formula C9H14N4 and a molecular weight of 178.24 g/mol. Its IUPAC name is 2-[(4-ethyl-2-methylimidazol-1-yl)amino]propanenitrile.

Molecular Properties

Compound Name2-[(4-ethyl-2-methylimidazol-1-yl)amino]propanenitrile
PubChem CID19796037
Molecular FormulaC9H14N4
Molecular Weight178.24 g/mol
Exact Mass178.12
IUPAC Name2-[(4-ethyl-2-methylimidazol-1-yl)amino]propanenitrile
SMILESCCc1cn(NC(C)C#N)c(C)n1
InChIInChI=1S/C9H14N4/c1-4-9-6-13(8(3)11-9)12-7(2)5-10/h6-7,12H,4H2,1-3H3
InChIKeyUNVWSLKYQXEAHW-UHFFFAOYSA-N
XLogP1.21
TPSA53.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.24
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-ethyl-2-methylimidazol-1-yl)amino]propanenitrile?
The IUPAC name of 2-[(4-ethyl-2-methylimidazol-1-yl)amino]propanenitrile (CID 19796037) is 2-[(4-ethyl-2-methylimidazol-1-yl)amino]propanenitrile.
What is the SMILES notation for 2-[(4-ethyl-2-methylimidazol-1-yl)amino]propanenitrile?
The canonical SMILES for 2-[(4-ethyl-2-methylimidazol-1-yl)amino]propanenitrile is CCc1cn(NC(C)C#N)c(C)n1.
What is the InChIKey of 2-[(4-ethyl-2-methylimidazol-1-yl)amino]propanenitrile?
The InChIKey is UNVWSLKYQXEAHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4/c1-4-9-6-13(8(3)11-9)12-7(2)5-10/h6-7,12H,4H2,1-3H3.
What are the key properties of 2-[(4-ethyl-2-methylimidazol-1-yl)amino]propanenitrile?
2-[(4-ethyl-2-methylimidazol-1-yl)amino]propanenitrile has a molecular weight of 178.24 g/mol, XLogP of 1.21, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-ethyl-2-methylimidazol-1-yl)amino]propanenitrile is sourced from PubChem (CID 19796037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).