2,4,5-trimethylimidazole-1-carbonitrile

C7H9N3 — CID 45087624

IUPAC2,4,5-trimethylimidazole-1-carbonitrile
SMILESCc1nc(C)n(C#N)c1C
InChIInChI=1S/C7H9N3/c1-5-6(2)10(4-8)7(3)9-5/h1-3H3
InChIKeyMVDCIVTVRKZFHD-UHFFFAOYSA-N
MW135.17 g/mol
LogP1.14
Rot. Bonds

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

2,4,5-trimethylimidazole-1-carbonitrile (PubChem CID 45087624) has the molecular formula C7H9N3 and a molecular weight of 135.17 g/mol. Its IUPAC name is 2,4,5-trimethylimidazole-1-carbonitrile.

Molecular Properties

Compound Name2,4,5-trimethylimidazole-1-carbonitrile
PubChem CID45087624
Molecular FormulaC7H9N3
Molecular Weight135.17 g/mol
Exact Mass135.08
IUPAC Name2,4,5-trimethylimidazole-1-carbonitrile
SMILESCc1nc(C)n(C#N)c1C
InChIInChI=1S/C7H9N3/c1-5-6(2)10(4-8)7(3)9-5/h1-3H3
InChIKeyMVDCIVTVRKZFHD-UHFFFAOYSA-N
XLogP1.14
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 ≤ 51.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,4,5-trimethylimidazole-1-carbonitrile?
The IUPAC name of 2,4,5-trimethylimidazole-1-carbonitrile (CID 45087624) is 2,4,5-trimethylimidazole-1-carbonitrile.
What is the SMILES notation for 2,4,5-trimethylimidazole-1-carbonitrile?
The canonical SMILES for 2,4,5-trimethylimidazole-1-carbonitrile is Cc1nc(C)n(C#N)c1C.
What is the InChIKey of 2,4,5-trimethylimidazole-1-carbonitrile?
The InChIKey is MVDCIVTVRKZFHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N3/c1-5-6(2)10(4-8)7(3)9-5/h1-3H3.
What are the key properties of 2,4,5-trimethylimidazole-1-carbonitrile?
2,4,5-trimethylimidazole-1-carbonitrile has a molecular weight of 135.17 g/mol, XLogP of 1.14, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,5-trimethylimidazole-1-carbonitrile is sourced from PubChem (CID 45087624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).