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

C3H9IN4 — CID 172677877

IUPAC4,5-dihydro-1H-imidazol-1-ium-2-ylhydrazine iodide
SMILESNNC1=NCC[NH2+]1.[I-]
InChIInChI=1S/C3H8N4.HI/c4-7-3-5-1-2-6-3;/h1-2,4H2,(H2,5,6,7);1H
InChIKeySCWOANXBMXJDAP-UHFFFAOYSA-N
MW228.04 g/mol
LogP-5.61
Rot. Bonds

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

4,5-dihydro-1H-imidazol-1-ium-2-ylhydrazine iodide (PubChem CID 172677877) has the molecular formula C3H9IN4 and a molecular weight of 228.04 g/mol. Its IUPAC name is 4,5-dihydro-1H-imidazol-1-ium-2-ylhydrazine iodide.

Molecular Properties

Compound Name4,5-dihydro-1H-imidazol-1-ium-2-ylhydrazine iodide
PubChem CID172677877
Molecular FormulaC3H9IN4
Molecular Weight228.04 g/mol
Exact Mass227.99
IUPAC Name4,5-dihydro-1H-imidazol-1-ium-2-ylhydrazine iodide
SMILESNNC1=NCC[NH2+]1.[I-]
InChIInChI=1S/C3H8N4.HI/c4-7-3-5-1-2-6-3;/h1-2,4H2,(H2,5,6,7);1H
InChIKeySCWOANXBMXJDAP-UHFFFAOYSA-N
XLogP-5.61
TPSA67.02 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.04
LogP ≤ 5-5.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'iodine', '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-1-ium-2-ylhydrazine iodide?
The IUPAC name of 4,5-dihydro-1H-imidazol-1-ium-2-ylhydrazine iodide (CID 172677877) is 4,5-dihydro-1H-imidazol-1-ium-2-ylhydrazine iodide.
What is the SMILES notation for 4,5-dihydro-1H-imidazol-1-ium-2-ylhydrazine iodide?
The canonical SMILES for 4,5-dihydro-1H-imidazol-1-ium-2-ylhydrazine iodide is NNC1=NCC[NH2+]1.[I-].
What is the InChIKey of 4,5-dihydro-1H-imidazol-1-ium-2-ylhydrazine iodide?
The InChIKey is SCWOANXBMXJDAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H8N4.HI/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-1-ium-2-ylhydrazine iodide?
4,5-dihydro-1H-imidazol-1-ium-2-ylhydrazine iodide has a molecular weight of 228.04 g/mol, XLogP of -5.61, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dihydro-1H-imidazol-1-ium-2-ylhydrazine iodide is sourced from PubChem (CID 172677877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).