imidazol-4-imine;hydrochloride

C3H4ClN3 — CID 173269114

IUPACimidazol-4-imine;hydrochloride
SMILESCl.[H]/N=C1\C=NC=N1
InChIInChI=1S/C3H3N3.ClH/c4-3-1-5-2-6-3;/h1-2,4H;1H/b4-3+;
InChIKeyBSGMXWXFUJFBHK-BJILWQEISA-N
MW117.54 g/mol
LogP0.50
Rot. Bonds

About imidazol-4-imine;hydrochloride

imidazol-4-imine;hydrochloride (PubChem CID 173269114) has the molecular formula C3H4ClN3 and a molecular weight of 117.54 g/mol. Its IUPAC name is imidazol-4-imine;hydrochloride.

Molecular Properties

Compound Nameimidazol-4-imine;hydrochloride
PubChem CID173269114
Molecular FormulaC3H4ClN3
Molecular Weight117.54 g/mol
Exact Mass117.01
IUPAC Nameimidazol-4-imine;hydrochloride
SMILESCl.[H]/N=C1\C=NC=N1
InChIInChI=1S/C3H3N3.ClH/c4-3-1-5-2-6-3;/h1-2,4H;1H/b4-3+;
InChIKeyBSGMXWXFUJFBHK-BJILWQEISA-N
XLogP0.50
TPSA48.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500117.54
LogP ≤ 50.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze imidazol-4-imine;hydrochloride 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-4-imine;hydrochloride?
The IUPAC name of imidazol-4-imine;hydrochloride (CID 173269114) is imidazol-4-imine;hydrochloride.
What is the SMILES notation for imidazol-4-imine;hydrochloride?
The canonical SMILES for imidazol-4-imine;hydrochloride is Cl.[H]/N=C1\C=NC=N1.
What is the InChIKey of imidazol-4-imine;hydrochloride?
The InChIKey is BSGMXWXFUJFBHK-BJILWQEISA-N. The full InChI is InChI=1S/C3H3N3.ClH/c4-3-1-5-2-6-3;/h1-2,4H;1H/b4-3+;.
What are the key properties of imidazol-4-imine;hydrochloride?
imidazol-4-imine;hydrochloride has a molecular weight of 117.54 g/mol, XLogP of 0.50, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for imidazol-4-imine;hydrochloride is sourced from PubChem (CID 173269114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).