1-butyl-3-methylimidazol-3-ium;cyanoiminomethylideneazanide

C10H15N5 — CID 11171745

IUPAC1-butyl-3-methylimidazol-3-ium;cyanoiminomethylideneazanide
SMILESCCCCn1cc[n+](C)c1.N#CN=C=[N-]
InChIInChI=1S/C8H15N2.C2N3/c1-3-4-5-10-7-6-9(2)8-10;3-1-5-2-4/h6-8H,3-5H2,1-2H3;/q+1;-1
InChIKeyICIVTHOGIQHZRY-UHFFFAOYSA-N
MW205.26 g/mol
LogP1.32
Rot. Bonds3

About 1-butyl-3-methylimidazol-3-ium;cyanoiminomethylideneazanide

1-butyl-3-methylimidazol-3-ium;cyanoiminomethylideneazanide (PubChem CID 11171745) has the molecular formula C10H15N5 and a molecular weight of 205.26 g/mol. Its IUPAC name is 1-butyl-3-methylimidazol-3-ium;cyanoiminomethylideneazanide.

Molecular Properties

Compound Name1-butyl-3-methylimidazol-3-ium;cyanoiminomethylideneazanide
PubChem CID11171745
Molecular FormulaC10H15N5
Molecular Weight205.26 g/mol
Exact Mass205.13
IUPAC Name1-butyl-3-methylimidazol-3-ium;cyanoiminomethylideneazanide
SMILESCCCCn1cc[n+](C)c1.N#CN=C=[N-]
InChIInChI=1S/C8H15N2.C2N3/c1-3-4-5-10-7-6-9(2)8-10;3-1-5-2-4/h6-8H,3-5H2,1-2H3;/q+1;-1
InChIKeyICIVTHOGIQHZRY-UHFFFAOYSA-N
XLogP1.32
TPSA67.26 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 51.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanate_/aminonitrile_/thiocyanate', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Analyze 1-butyl-3-methylimidazol-3-ium;cyanoiminomethylideneazanide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-butyl-3-methylimidazol-3-ium;cyanoiminomethylideneazanide?
The IUPAC name of 1-butyl-3-methylimidazol-3-ium;cyanoiminomethylideneazanide (CID 11171745) is 1-butyl-3-methylimidazol-3-ium;cyanoiminomethylideneazanide.
What is the SMILES notation for 1-butyl-3-methylimidazol-3-ium;cyanoiminomethylideneazanide?
The canonical SMILES for 1-butyl-3-methylimidazol-3-ium;cyanoiminomethylideneazanide is CCCCn1cc[n+](C)c1.N#CN=C=[N-].
What is the InChIKey of 1-butyl-3-methylimidazol-3-ium;cyanoiminomethylideneazanide?
The InChIKey is ICIVTHOGIQHZRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N2.C2N3/c1-3-4-5-10-7-6-9(2)8-10;3-1-5-2-4/h6-8H,3-5H2,1-2H3;/q+1;-1.
What are the key properties of 1-butyl-3-methylimidazol-3-ium;cyanoiminomethylideneazanide?
1-butyl-3-methylimidazol-3-ium;cyanoiminomethylideneazanide has a molecular weight of 205.26 g/mol, XLogP of 1.32, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-3-methylimidazol-3-ium;cyanoiminomethylideneazanide is sourced from PubChem (CID 11171745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).