4,5-dihydroimidazole-1,2-diamine;dihydrochloride

C3H10Cl2N4 — CID 141013157

IUPAC4,5-dihydroimidazole-1,2-diamine;dihydrochloride
SMILESCl.Cl.NC1=NCCN1N
InChIInChI=1S/C3H8N4.2ClH/c4-3-6-1-2-7(3)5;;/h1-2,5H2,(H2,4,6);2*1H
InChIKeyIRFKRJKLIWTTEH-UHFFFAOYSA-N
MW173.05 g/mol
LogP-0.67
Rot. Bonds

About 4,5-dihydroimidazole-1,2-diamine;dihydrochloride

4,5-dihydroimidazole-1,2-diamine;dihydrochloride (PubChem CID 141013157) has the molecular formula C3H10Cl2N4 and a molecular weight of 173.05 g/mol. Its IUPAC name is 4,5-dihydroimidazole-1,2-diamine;dihydrochloride.

Molecular Properties

Compound Name4,5-dihydroimidazole-1,2-diamine;dihydrochloride
PubChem CID141013157
Molecular FormulaC3H10Cl2N4
Molecular Weight173.05 g/mol
Exact Mass172.03
IUPAC Name4,5-dihydroimidazole-1,2-diamine;dihydrochloride
SMILESCl.Cl.NC1=NCCN1N
InChIInChI=1S/C3H8N4.2ClH/c4-3-6-1-2-7(3)5;;/h1-2,5H2,(H2,4,6);2*1H
InChIKeyIRFKRJKLIWTTEH-UHFFFAOYSA-N
XLogP-0.67
TPSA67.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.05
LogP ≤ 5-0.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4,5-dihydroimidazole-1,2-diamine;dihydrochloride 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

2-Hydrazinoimidazoline dihydrochloride
CID 12221231
4,5-Dihydroimidazole-1,2-diamine
CID 9833935
2-Hydrazinyl-4,5-dihydroimidazol-1-amine
CID 15114691
1,2-Diamino-4,5-dihydro-imidazole hydrochloride
CID 18937940
1,2-Diamino-1-[2-(diaminomethylideneamino)ethyl]guanidine
CID 57211337
(1-Hydrazinyl-4,5-dihydroimidazol-2-yl)hydrazine;dihydrobromide
CID 60207567
(1-Hydrazinyl-4,5-dihydroimidazol-2-yl)hydrazine
CID 60207568
4,5-Dihydroimidazole-1,2,4-triamine
CID 140331358
1,2-Diamino-1-[2-(diaminomethylideneamino)ethyl]guanidine;dihydrochloride
CID 173440206

Frequently Asked Questions

What is the IUPAC name of 4,5-dihydroimidazole-1,2-diamine;dihydrochloride?
The IUPAC name of 4,5-dihydroimidazole-1,2-diamine;dihydrochloride (CID 141013157) is 4,5-dihydroimidazole-1,2-diamine;dihydrochloride.
What is the SMILES notation for 4,5-dihydroimidazole-1,2-diamine;dihydrochloride?
The canonical SMILES for 4,5-dihydroimidazole-1,2-diamine;dihydrochloride is Cl.Cl.NC1=NCCN1N.
What is the InChIKey of 4,5-dihydroimidazole-1,2-diamine;dihydrochloride?
The InChIKey is IRFKRJKLIWTTEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H8N4.2ClH/c4-3-6-1-2-7(3)5;;/h1-2,5H2,(H2,4,6);2*1H.
What are the key properties of 4,5-dihydroimidazole-1,2-diamine;dihydrochloride?
4,5-dihydroimidazole-1,2-diamine;dihydrochloride has a molecular weight of 173.05 g/mol, XLogP of -0.67, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dihydroimidazole-1,2-diamine;dihydrochloride is sourced from PubChem (CID 141013157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).