[4-(1H-1,2,4-triazol-5-ylmethyl)phenyl]hydrazine;hydrochloride

C9H12ClN5 — CID 69156383

IUPAC[4-(1H-1,2,4-triazol-5-ylmethyl)phenyl]hydrazine;hydrochloride
SMILESCl.NNc1ccc(Cc2ncn[nH]2)cc1
InChIInChI=1S/C9H11N5.ClH/c10-13-8-3-1-7(2-4-8)5-9-11-6-12-14-9;/h1-4,6,13H,5,10H2,(H,11,12,14);1H
InChIKeyIBHLYHJTOYYXPE-UHFFFAOYSA-N
MW225.68 g/mol
LogP1.10
Rot. Bonds3

About [4-(1H-1,2,4-triazol-5-ylmethyl)phenyl]hydrazine;hydrochloride

[4-(1H-1,2,4-triazol-5-ylmethyl)phenyl]hydrazine;hydrochloride (PubChem CID 69156383) has the molecular formula C9H12ClN5 and a molecular weight of 225.68 g/mol. Its IUPAC name is [4-(1H-1,2,4-triazol-5-ylmethyl)phenyl]hydrazine;hydrochloride.

Molecular Properties

Compound Name[4-(1H-1,2,4-triazol-5-ylmethyl)phenyl]hydrazine;hydrochloride
PubChem CID69156383
Molecular FormulaC9H12ClN5
Molecular Weight225.68 g/mol
Exact Mass225.08
IUPAC Name[4-(1H-1,2,4-triazol-5-ylmethyl)phenyl]hydrazine;hydrochloride
SMILESCl.NNc1ccc(Cc2ncn[nH]2)cc1
InChIInChI=1S/C9H11N5.ClH/c10-13-8-3-1-7(2-4-8)5-9-11-6-12-14-9;/h1-4,6,13H,5,10H2,(H,11,12,14);1H
InChIKeyIBHLYHJTOYYXPE-UHFFFAOYSA-N
XLogP1.10
TPSA79.62 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.68
LogP ≤ 51.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze [4-(1H-1,2,4-triazol-5-ylmethyl)phenyl]hydrazine;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [4-(1H-1,2,4-triazol-5-ylmethyl)phenyl]hydrazine;hydrochloride?
The IUPAC name of [4-(1H-1,2,4-triazol-5-ylmethyl)phenyl]hydrazine;hydrochloride (CID 69156383) is [4-(1H-1,2,4-triazol-5-ylmethyl)phenyl]hydrazine;hydrochloride.
What is the SMILES notation for [4-(1H-1,2,4-triazol-5-ylmethyl)phenyl]hydrazine;hydrochloride?
The canonical SMILES for [4-(1H-1,2,4-triazol-5-ylmethyl)phenyl]hydrazine;hydrochloride is Cl.NNc1ccc(Cc2ncn[nH]2)cc1.
What is the InChIKey of [4-(1H-1,2,4-triazol-5-ylmethyl)phenyl]hydrazine;hydrochloride?
The InChIKey is IBHLYHJTOYYXPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N5.ClH/c10-13-8-3-1-7(2-4-8)5-9-11-6-12-14-9;/h1-4,6,13H,5,10H2,(H,11,12,14);1H.
What are the key properties of [4-(1H-1,2,4-triazol-5-ylmethyl)phenyl]hydrazine;hydrochloride?
[4-(1H-1,2,4-triazol-5-ylmethyl)phenyl]hydrazine;hydrochloride has a molecular weight of 225.68 g/mol, XLogP of 1.10, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(1H-1,2,4-triazol-5-ylmethyl)phenyl]hydrazine;hydrochloride is sourced from PubChem (CID 69156383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).