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

C9H12ClN5 — CID 23374601

IUPAC[4-(1,2,4-triazol-1-ylmethyl)phenyl]hydrazine;hydrochloride
SMILESCl.NNc1ccc(Cn2cncn2)cc1
InChIInChI=1S/C9H11N5.ClH/c10-13-9-3-1-8(2-4-9)5-14-7-11-6-12-14;/h1-4,6-7,13H,5,10H2;1H
InChIKeyWTSGWKNUHMEHOH-UHFFFAOYSA-N
MW225.68 g/mol
LogP1.03
Rot. Bonds3

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

[4-(1,2,4-triazol-1-ylmethyl)phenyl]hydrazine;hydrochloride (PubChem CID 23374601) has the molecular formula C9H12ClN5 and a molecular weight of 225.68 g/mol. Its IUPAC name is [4-(1,2,4-triazol-1-ylmethyl)phenyl]hydrazine;hydrochloride.

Molecular Properties

Compound Name[4-(1,2,4-triazol-1-ylmethyl)phenyl]hydrazine;hydrochloride
PubChem CID23374601
Molecular FormulaC9H12ClN5
Molecular Weight225.68 g/mol
Exact Mass225.08
IUPAC Name[4-(1,2,4-triazol-1-ylmethyl)phenyl]hydrazine;hydrochloride
SMILESCl.NNc1ccc(Cn2cncn2)cc1
InChIInChI=1S/C9H11N5.ClH/c10-13-9-3-1-8(2-4-9)5-14-7-11-6-12-14;/h1-4,6-7,13H,5,10H2;1H
InChIKeyWTSGWKNUHMEHOH-UHFFFAOYSA-N
XLogP1.03
TPSA68.76 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.68
LogP ≤ 51.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-[(1H-1,2,4-triazol-1-yl)methyl]aniline
CID 6482004
1-(4-Aminobenzyl)-1,2,4-triazole
CID 821219
N-{[4-(dimethylamino)phenyl]methyl}-4H-1,2,4-triazol-4-amine
CID 892578
(4-Amino-benzyl)-(2H-[1,2,4]triazol-3-yl)-amine
CID 851534
[(4-methylphenyl)amino]-N-(1,2,4-triazol-4-yl)carboxamide
CID 4243595
1-(4-Methylphenyl)-3-(1,2,4-triazol-4-yl)thiourea
CID 841432
1-(4-Nitrobenzyl)-1H-1,2,4-triazole
CID 6482000
[1-(3-iodo-4-aminobenzyl)-1H-1,2,4-triazole]
CID 11120110
1-(4-(1H-1,2,4-Triazol-1-yl)phenyl)ethanamine
CID 4962205
N-{4-[(4-methylbenzyl)amino]benzyl}-1H-1,2,4-triazol-5-amine
CID 851516
N-[4-(dimethylamino)benzyl]-1H-1,2,4-triazol-5-amine
CID 913757
4H-1,2,4-Triazolium, 1-phenyl-4-(phenylamino)-, chloride (1:1)
CID 200435

Frequently Asked Questions

What is the IUPAC name of [4-(1,2,4-triazol-1-ylmethyl)phenyl]hydrazine;hydrochloride?
The IUPAC name of [4-(1,2,4-triazol-1-ylmethyl)phenyl]hydrazine;hydrochloride (CID 23374601) is [4-(1,2,4-triazol-1-ylmethyl)phenyl]hydrazine;hydrochloride.
What is the SMILES notation for [4-(1,2,4-triazol-1-ylmethyl)phenyl]hydrazine;hydrochloride?
The canonical SMILES for [4-(1,2,4-triazol-1-ylmethyl)phenyl]hydrazine;hydrochloride is Cl.NNc1ccc(Cn2cncn2)cc1.
What is the InChIKey of [4-(1,2,4-triazol-1-ylmethyl)phenyl]hydrazine;hydrochloride?
The InChIKey is WTSGWKNUHMEHOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N5.ClH/c10-13-9-3-1-8(2-4-9)5-14-7-11-6-12-14;/h1-4,6-7,13H,5,10H2;1H.
What are the key properties of [4-(1,2,4-triazol-1-ylmethyl)phenyl]hydrazine;hydrochloride?
[4-(1,2,4-triazol-1-ylmethyl)phenyl]hydrazine;hydrochloride has a molecular weight of 225.68 g/mol, XLogP of 1.03, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(1,2,4-triazol-1-ylmethyl)phenyl]hydrazine;hydrochloride is sourced from PubChem (CID 23374601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).