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

C3H9N4+ — CID 7005144

IUPAC4,5-dihydro-1H-imidazol-3-ium-2-ylhydrazine
SMILESNNC1=[NH+]CCN1
InChIInChI=1S/C3H8N4/c4-7-3-5-1-2-6-3/h1-2,4H2,(H2,5,6,7)/p+1
InChIKeyWIPKZLIKOXLWCF-UHFFFAOYSA-O
MW101.13 g/mol
LogP-3.51
Rot. Bonds

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

4,5-dihydro-1H-imidazol-3-ium-2-ylhydrazine (PubChem CID 7005144) has the molecular formula C3H9N4+ and a molecular weight of 101.13 g/mol. Its IUPAC name is 4,5-dihydro-1H-imidazol-3-ium-2-ylhydrazine.

Molecular Properties

Compound Name4,5-dihydro-1H-imidazol-3-ium-2-ylhydrazine
PubChem CID7005144
Molecular FormulaC3H9N4+
Molecular Weight101.13 g/mol
Exact Mass101.08
IUPAC Name4,5-dihydro-1H-imidazol-3-ium-2-ylhydrazine
SMILESNNC1=[NH+]CCN1
InChIInChI=1S/C3H8N4/c4-7-3-5-1-2-6-3/h1-2,4H2,(H2,5,6,7)/p+1
InChIKeyWIPKZLIKOXLWCF-UHFFFAOYSA-O
XLogP-3.51
TPSA64.05 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500101.13
LogP ≤ 5-3.51
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?
The IUPAC name of 4,5-dihydro-1H-imidazol-3-ium-2-ylhydrazine (CID 7005144) is 4,5-dihydro-1H-imidazol-3-ium-2-ylhydrazine.
What is the SMILES notation for 4,5-dihydro-1H-imidazol-3-ium-2-ylhydrazine?
The canonical SMILES for 4,5-dihydro-1H-imidazol-3-ium-2-ylhydrazine is NNC1=[NH+]CCN1.
What is the InChIKey of 4,5-dihydro-1H-imidazol-3-ium-2-ylhydrazine?
The InChIKey is WIPKZLIKOXLWCF-UHFFFAOYSA-O. The full InChI is InChI=1S/C3H8N4/c4-7-3-5-1-2-6-3/h1-2,4H2,(H2,5,6,7)/p+1.
What are the key properties of 4,5-dihydro-1H-imidazol-3-ium-2-ylhydrazine?
4,5-dihydro-1H-imidazol-3-ium-2-ylhydrazine has a molecular weight of 101.13 g/mol, XLogP of -3.51, 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 is sourced from PubChem (CID 7005144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).