(1-methylpyrazol-3-yl)hydrazine;trihydrochloride

C4H11Cl3N4 — CID 75525830

IUPAC(1-methylpyrazol-3-yl)hydrazine;trihydrochloride
SMILESCl.Cl.Cl.Cn1ccc(NN)n1
InChIInChI=1S/C4H8N4.3ClH/c1-8-3-2-4(6-5)7-8;;;/h2-3H,5H2,1H3,(H,6,7);3*1H
InChIKeyVJSFRERLGQGLEB-UHFFFAOYSA-N
MW221.52 g/mol
LogP0.97
Rot. Bonds1

About (1-methylpyrazol-3-yl)hydrazine;trihydrochloride

(1-methylpyrazol-3-yl)hydrazine;trihydrochloride (PubChem CID 75525830) has the molecular formula C4H11Cl3N4 and a molecular weight of 221.52 g/mol. Its IUPAC name is (1-methylpyrazol-3-yl)hydrazine;trihydrochloride.

Molecular Properties

Compound Name(1-methylpyrazol-3-yl)hydrazine;trihydrochloride
PubChem CID75525830
Molecular FormulaC4H11Cl3N4
Molecular Weight221.52 g/mol
Exact Mass220.00
IUPAC Name(1-methylpyrazol-3-yl)hydrazine;trihydrochloride
SMILESCl.Cl.Cl.Cn1ccc(NN)n1
InChIInChI=1S/C4H8N4.3ClH/c1-8-3-2-4(6-5)7-8;;;/h2-3H,5H2,1H3,(H,6,7);3*1H
InChIKeyVJSFRERLGQGLEB-UHFFFAOYSA-N
XLogP0.97
TPSA55.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.52
LogP ≤ 50.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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 (1-methylpyrazol-3-yl)hydrazine;trihydrochloride?
The IUPAC name of (1-methylpyrazol-3-yl)hydrazine;trihydrochloride (CID 75525830) is (1-methylpyrazol-3-yl)hydrazine;trihydrochloride.
What is the SMILES notation for (1-methylpyrazol-3-yl)hydrazine;trihydrochloride?
The canonical SMILES for (1-methylpyrazol-3-yl)hydrazine;trihydrochloride is Cl.Cl.Cl.Cn1ccc(NN)n1.
What is the InChIKey of (1-methylpyrazol-3-yl)hydrazine;trihydrochloride?
The InChIKey is VJSFRERLGQGLEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8N4.3ClH/c1-8-3-2-4(6-5)7-8;;;/h2-3H,5H2,1H3,(H,6,7);3*1H.
What are the key properties of (1-methylpyrazol-3-yl)hydrazine;trihydrochloride?
(1-methylpyrazol-3-yl)hydrazine;trihydrochloride has a molecular weight of 221.52 g/mol, XLogP of 0.97, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methylpyrazol-3-yl)hydrazine;trihydrochloride is sourced from PubChem (CID 75525830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).