1,2,5-trimethylimidazole-4-carbonitrile

C7H9N3 — CID 20817994

IUPAC1,2,5-trimethylimidazole-4-carbonitrile
SMILESCc1nc(C#N)c(C)n1C
InChIInChI=1S/C7H9N3/c1-5-7(4-8)9-6(2)10(5)3/h1-3H3
InChIKeyHQFPOVTZFDPMLG-UHFFFAOYSA-N
MW135.17 g/mol
LogP0.91
Rot. Bonds

About 1,2,5-trimethylimidazole-4-carbonitrile

1,2,5-trimethylimidazole-4-carbonitrile (PubChem CID 20817994) has the molecular formula C7H9N3 and a molecular weight of 135.17 g/mol. Its IUPAC name is 1,2,5-trimethylimidazole-4-carbonitrile.

Molecular Properties

Compound Name1,2,5-trimethylimidazole-4-carbonitrile
PubChem CID20817994
Molecular FormulaC7H9N3
Molecular Weight135.17 g/mol
Exact Mass135.08
IUPAC Name1,2,5-trimethylimidazole-4-carbonitrile
SMILESCc1nc(C#N)c(C)n1C
InChIInChI=1S/C7H9N3/c1-5-7(4-8)9-6(2)10(5)3/h1-3H3
InChIKeyHQFPOVTZFDPMLG-UHFFFAOYSA-N
XLogP0.91
TPSA41.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500135.17
LogP ≤ 50.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1,2,5-trimethylimidazole-4-carbonitrile?
The IUPAC name of 1,2,5-trimethylimidazole-4-carbonitrile (CID 20817994) is 1,2,5-trimethylimidazole-4-carbonitrile.
What is the SMILES notation for 1,2,5-trimethylimidazole-4-carbonitrile?
The canonical SMILES for 1,2,5-trimethylimidazole-4-carbonitrile is Cc1nc(C#N)c(C)n1C.
What is the InChIKey of 1,2,5-trimethylimidazole-4-carbonitrile?
The InChIKey is HQFPOVTZFDPMLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N3/c1-5-7(4-8)9-6(2)10(5)3/h1-3H3.
What are the key properties of 1,2,5-trimethylimidazole-4-carbonitrile?
1,2,5-trimethylimidazole-4-carbonitrile has a molecular weight of 135.17 g/mol, XLogP of 0.91, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,5-trimethylimidazole-4-carbonitrile is sourced from PubChem (CID 20817994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).