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

C3H9ClN4 — CID 18937940

IUPAC4,5-dihydroimidazole-1,2-diamine;hydrochloride
SMILESCl.NC1=NCCN1N
InChIInChI=1S/C3H8N4.ClH/c4-3-6-1-2-7(3)5;/h1-2,5H2,(H2,4,6);1H
InChIKeyLZSJXQGFFDEUBK-UHFFFAOYSA-N
MW136.59 g/mol
LogP-1.09
Rot. Bonds

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

4,5-dihydroimidazole-1,2-diamine;hydrochloride (PubChem CID 18937940) has the molecular formula C3H9ClN4 and a molecular weight of 136.59 g/mol. Its IUPAC name is 4,5-dihydroimidazole-1,2-diamine;hydrochloride.

Molecular Properties

Compound Name4,5-dihydroimidazole-1,2-diamine;hydrochloride
PubChem CID18937940
Molecular FormulaC3H9ClN4
Molecular Weight136.59 g/mol
Exact Mass136.05
IUPAC Name4,5-dihydroimidazole-1,2-diamine;hydrochloride
SMILESCl.NC1=NCCN1N
InChIInChI=1S/C3H8N4.ClH/c4-3-6-1-2-7(3)5;/h1-2,5H2,(H2,4,6);1H
InChIKeyLZSJXQGFFDEUBK-UHFFFAOYSA-N
XLogP-1.09
TPSA67.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.59
LogP ≤ 5-1.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4,5-dihydroimidazole-1,2-diamine;hydrochloride?
The IUPAC name of 4,5-dihydroimidazole-1,2-diamine;hydrochloride (CID 18937940) is 4,5-dihydroimidazole-1,2-diamine;hydrochloride.
What is the SMILES notation for 4,5-dihydroimidazole-1,2-diamine;hydrochloride?
The canonical SMILES for 4,5-dihydroimidazole-1,2-diamine;hydrochloride is Cl.NC1=NCCN1N.
What is the InChIKey of 4,5-dihydroimidazole-1,2-diamine;hydrochloride?
The InChIKey is LZSJXQGFFDEUBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H8N4.ClH/c4-3-6-1-2-7(3)5;/h1-2,5H2,(H2,4,6);1H.
What are the key properties of 4,5-dihydroimidazole-1,2-diamine;hydrochloride?
4,5-dihydroimidazole-1,2-diamine;hydrochloride has a molecular weight of 136.59 g/mol, XLogP of -1.09, 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;hydrochloride is sourced from PubChem (CID 18937940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).