potassium 1-methyl-4H-imidazol-4-ide-5-carbonitrile

C5H4KN3 — CID 169155711

IUPACpotassium 1-methyl-4H-imidazol-4-ide-5-carbonitrile
SMILESCn1cn[c-]c1C#N.[K+]
InChIInChI=1S/C5H4N3.K/c1-8-4-7-3-5(8)2-6;/h4H,1H3;/q-1;+1
InChIKeyDNDPLNCZISSWIW-UHFFFAOYSA-N
MW145.21 g/mol
LogP-2.90
Rot. Bonds

About potassium 1-methyl-4H-imidazol-4-ide-5-carbonitrile

potassium 1-methyl-4H-imidazol-4-ide-5-carbonitrile (PubChem CID 169155711) has the molecular formula C5H4KN3 and a molecular weight of 145.21 g/mol. Its IUPAC name is potassium 1-methyl-4H-imidazol-4-ide-5-carbonitrile.

Molecular Properties

Compound Namepotassium 1-methyl-4H-imidazol-4-ide-5-carbonitrile
PubChem CID169155711
Molecular FormulaC5H4KN3
Molecular Weight145.21 g/mol
Exact Mass145.00
IUPAC Namepotassium 1-methyl-4H-imidazol-4-ide-5-carbonitrile
SMILESCn1cn[c-]c1C#N.[K+]
InChIInChI=1S/C5H4N3.K/c1-8-4-7-3-5(8)2-6;/h4H,1H3;/q-1;+1
InChIKeyDNDPLNCZISSWIW-UHFFFAOYSA-N
XLogP-2.90
TPSA41.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.21
LogP ≤ 5-2.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

Analyze potassium 1-methyl-4H-imidazol-4-ide-5-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-methyl-4H-imidazol-4-ide-5-carbonitrile;yttrium
CID 140756234
potassium 1,5-dimethyl-4H-imidazol-4-ide
CID 164910364
1-methyl-4H-imidazol-4-ide-5-carbonitrile;yttrium
CID 169155843

Frequently Asked Questions

What is the IUPAC name of potassium 1-methyl-4H-imidazol-4-ide-5-carbonitrile?
The IUPAC name of potassium 1-methyl-4H-imidazol-4-ide-5-carbonitrile (CID 169155711) is potassium 1-methyl-4H-imidazol-4-ide-5-carbonitrile.
What is the SMILES notation for potassium 1-methyl-4H-imidazol-4-ide-5-carbonitrile?
The canonical SMILES for potassium 1-methyl-4H-imidazol-4-ide-5-carbonitrile is Cn1cn[c-]c1C#N.[K+].
What is the InChIKey of potassium 1-methyl-4H-imidazol-4-ide-5-carbonitrile?
The InChIKey is DNDPLNCZISSWIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4N3.K/c1-8-4-7-3-5(8)2-6;/h4H,1H3;/q-1;+1.
What are the key properties of potassium 1-methyl-4H-imidazol-4-ide-5-carbonitrile?
potassium 1-methyl-4H-imidazol-4-ide-5-carbonitrile has a molecular weight of 145.21 g/mol, XLogP of -2.90, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for potassium 1-methyl-4H-imidazol-4-ide-5-carbonitrile is sourced from PubChem (CID 169155711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).