imidazole-1-carbonitrile

C4H3N3 — CID 2735857

IUPACimidazole-1-carbonitrile
SMILESN#Cn1ccnc1
InChIInChI=1S/C4H3N3/c5-3-7-2-1-6-4-7/h1-2,4H
InChIKeySLPWXZZHNSOZPX-UHFFFAOYSA-N
MW93.09 g/mol
LogP0.21
Rot. Bonds

About imidazole-1-carbonitrile

imidazole-1-carbonitrile (PubChem CID 2735857) has the molecular formula C4H3N3 and a molecular weight of 93.09 g/mol. Its IUPAC name is imidazole-1-carbonitrile.

Molecular Properties

Compound Nameimidazole-1-carbonitrile
PubChem CID2735857
Molecular FormulaC4H3N3
Molecular Weight93.09 g/mol
Exact Mass93.03
IUPAC Nameimidazole-1-carbonitrile
SMILESN#Cn1ccnc1
InChIInChI=1S/C4H3N3/c5-3-7-2-1-6-4-7/h1-2,4H
InChIKeySLPWXZZHNSOZPX-UHFFFAOYSA-N
XLogP0.21
TPSA41.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50093.09
LogP ≤ 50.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of imidazole-1-carbonitrile?
The IUPAC name of imidazole-1-carbonitrile (CID 2735857) is imidazole-1-carbonitrile.
What is the SMILES notation for imidazole-1-carbonitrile?
The canonical SMILES for imidazole-1-carbonitrile is N#Cn1ccnc1.
What is the InChIKey of imidazole-1-carbonitrile?
The InChIKey is SLPWXZZHNSOZPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H3N3/c5-3-7-2-1-6-4-7/h1-2,4H.
What are the key properties of imidazole-1-carbonitrile?
imidazole-1-carbonitrile has a molecular weight of 93.09 g/mol, XLogP of 0.21, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for imidazole-1-carbonitrile is sourced from PubChem (CID 2735857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).