imidazol-2-ylideneazanium

C3H4N3+ — CID 57324822

IUPACimidazol-2-ylideneazanium
SMILES[NH2+]=C1N=CC=N1
InChIInChI=1S/C3H3N3/c4-3-5-1-2-6-3/h1-2,4H/p+1
InChIKeyPFRDRCIPKPEULG-UHFFFAOYSA-O
MW82.09 g/mol
LogP-1.74
Rot. Bonds

About imidazol-2-ylideneazanium

imidazol-2-ylideneazanium (PubChem CID 57324822) has the molecular formula C3H4N3+ and a molecular weight of 82.09 g/mol. Its IUPAC name is imidazol-2-ylideneazanium.

Molecular Properties

Compound Nameimidazol-2-ylideneazanium
PubChem CID57324822
Molecular FormulaC3H4N3+
Molecular Weight82.09 g/mol
Exact Mass82.04
IUPAC Nameimidazol-2-ylideneazanium
SMILES[NH2+]=C1N=CC=N1
InChIInChI=1S/C3H3N3/c4-3-5-1-2-6-3/h1-2,4H/p+1
InChIKeyPFRDRCIPKPEULG-UHFFFAOYSA-O
XLogP-1.74
TPSA50.31 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50082.09
LogP ≤ 5-1.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze imidazol-2-ylideneazanium 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 imidazol-2-ylideneazanium?
The IUPAC name of imidazol-2-ylideneazanium (CID 57324822) is imidazol-2-ylideneazanium.
What is the SMILES notation for imidazol-2-ylideneazanium?
The canonical SMILES for imidazol-2-ylideneazanium is [NH2+]=C1N=CC=N1.
What is the InChIKey of imidazol-2-ylideneazanium?
The InChIKey is PFRDRCIPKPEULG-UHFFFAOYSA-O. The full InChI is InChI=1S/C3H3N3/c4-3-5-1-2-6-3/h1-2,4H/p+1.
What are the key properties of imidazol-2-ylideneazanium?
imidazol-2-ylideneazanium has a molecular weight of 82.09 g/mol, XLogP of -1.74, 0 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for imidazol-2-ylideneazanium is sourced from PubChem (CID 57324822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).