4,5-dihydro-1H-imidazol-3-ium-2-ylhydrazine bromide

C3H9BrN4 — CID 10943072

IUPAC4,5-dihydro-1H-imidazol-3-ium-2-ylhydrazine bromide
SMILESNNC1=[NH+]CCN1.[Br-]
InChIInChI=1S/C3H8N4.BrH/c4-7-3-5-1-2-6-3;/h1-2,4H2,(H2,5,6,7);1H
InChIKeyHIJRJVVSABWXKG-UHFFFAOYSA-N
MW181.04 g/mol
LogP-6.51
Rot. Bonds

About 4,5-dihydro-1H-imidazol-3-ium-2-ylhydrazine bromide

4,5-dihydro-1H-imidazol-3-ium-2-ylhydrazine bromide (PubChem CID 10943072) has the molecular formula C3H9BrN4 and a molecular weight of 181.04 g/mol. Its IUPAC name is 4,5-dihydro-1H-imidazol-3-ium-2-ylhydrazine bromide.

Molecular Properties

Compound Name4,5-dihydro-1H-imidazol-3-ium-2-ylhydrazine bromide
PubChem CID10943072
Molecular FormulaC3H9BrN4
Molecular Weight181.04 g/mol
Exact Mass180.00
IUPAC Name4,5-dihydro-1H-imidazol-3-ium-2-ylhydrazine bromide
SMILESNNC1=[NH+]CCN1.[Br-]
InChIInChI=1S/C3H8N4.BrH/c4-7-3-5-1-2-6-3;/h1-2,4H2,(H2,5,6,7);1H
InChIKeyHIJRJVVSABWXKG-UHFFFAOYSA-N
XLogP-6.51
TPSA64.05 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.04
LogP ≤ 5-6.51
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4,5-dihydro-1H-imidazol-3-ium-2-ylhydrazine bromide?
The IUPAC name of 4,5-dihydro-1H-imidazol-3-ium-2-ylhydrazine bromide (CID 10943072) is 4,5-dihydro-1H-imidazol-3-ium-2-ylhydrazine bromide.
What is the SMILES notation for 4,5-dihydro-1H-imidazol-3-ium-2-ylhydrazine bromide?
The canonical SMILES for 4,5-dihydro-1H-imidazol-3-ium-2-ylhydrazine bromide is NNC1=[NH+]CCN1.[Br-].
What is the InChIKey of 4,5-dihydro-1H-imidazol-3-ium-2-ylhydrazine bromide?
The InChIKey is HIJRJVVSABWXKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H8N4.BrH/c4-7-3-5-1-2-6-3;/h1-2,4H2,(H2,5,6,7);1H.
What are the key properties of 4,5-dihydro-1H-imidazol-3-ium-2-ylhydrazine bromide?
4,5-dihydro-1H-imidazol-3-ium-2-ylhydrazine bromide has a molecular weight of 181.04 g/mol, XLogP of -6.51, 0 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dihydro-1H-imidazol-3-ium-2-ylhydrazine bromide is sourced from PubChem (CID 10943072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).