[4-(triazol-1-yl)phenyl]hydrazine;hydrochloride

C8H10ClN5 — CID 19977103

IUPAC[4-(triazol-1-yl)phenyl]hydrazine;hydrochloride
SMILESCl.NNc1ccc(-n2ccnn2)cc1
InChIInChI=1S/C8H9N5.ClH/c9-11-7-1-3-8(4-2-7)13-6-5-10-12-13;/h1-6,11H,9H2;1H
InChIKeyIXFIKBKRTXLDSA-UHFFFAOYSA-N
MW211.66 g/mol
LogP0.97
Rot. Bonds2

About [4-(triazol-1-yl)phenyl]hydrazine;hydrochloride

[4-(triazol-1-yl)phenyl]hydrazine;hydrochloride (PubChem CID 19977103) has the molecular formula C8H10ClN5 and a molecular weight of 211.66 g/mol. Its IUPAC name is [4-(triazol-1-yl)phenyl]hydrazine;hydrochloride.

Molecular Properties

Compound Name[4-(triazol-1-yl)phenyl]hydrazine;hydrochloride
PubChem CID19977103
Molecular FormulaC8H10ClN5
Molecular Weight211.66 g/mol
Exact Mass211.06
IUPAC Name[4-(triazol-1-yl)phenyl]hydrazine;hydrochloride
SMILESCl.NNc1ccc(-n2ccnn2)cc1
InChIInChI=1S/C8H9N5.ClH/c9-11-7-1-3-8(4-2-7)13-6-5-10-12-13;/h1-6,11H,9H2;1H
InChIKeyIXFIKBKRTXLDSA-UHFFFAOYSA-N
XLogP0.97
TPSA68.76 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.66
LogP ≤ 50.97
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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Frequently Asked Questions

What is the IUPAC name of [4-(triazol-1-yl)phenyl]hydrazine;hydrochloride?
The IUPAC name of [4-(triazol-1-yl)phenyl]hydrazine;hydrochloride (CID 19977103) is [4-(triazol-1-yl)phenyl]hydrazine;hydrochloride.
What is the SMILES notation for [4-(triazol-1-yl)phenyl]hydrazine;hydrochloride?
The canonical SMILES for [4-(triazol-1-yl)phenyl]hydrazine;hydrochloride is Cl.NNc1ccc(-n2ccnn2)cc1.
What is the InChIKey of [4-(triazol-1-yl)phenyl]hydrazine;hydrochloride?
The InChIKey is IXFIKBKRTXLDSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N5.ClH/c9-11-7-1-3-8(4-2-7)13-6-5-10-12-13;/h1-6,11H,9H2;1H.
What are the key properties of [4-(triazol-1-yl)phenyl]hydrazine;hydrochloride?
[4-(triazol-1-yl)phenyl]hydrazine;hydrochloride has a molecular weight of 211.66 g/mol, XLogP of 0.97, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(triazol-1-yl)phenyl]hydrazine;hydrochloride is sourced from PubChem (CID 19977103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).