[4-(1,2,4-triazol-4-yl)phenyl]hydrazine;dihydrochloride

C8H11Cl2N5 — CID 70193720

IUPAC[4-(1,2,4-triazol-4-yl)phenyl]hydrazine;dihydrochloride
SMILESCl.Cl.NNc1ccc(-n2cnnc2)cc1
InChIInChI=1S/C8H9N5.2ClH/c9-12-7-1-3-8(4-2-7)13-5-10-11-6-13;;/h1-6,12H,9H2;2*1H
InChIKeyDEHLXOLUGKFNCI-UHFFFAOYSA-N
MW248.12 g/mol
LogP1.40
Rot. Bonds2

About [4-(1,2,4-triazol-4-yl)phenyl]hydrazine;dihydrochloride

[4-(1,2,4-triazol-4-yl)phenyl]hydrazine;dihydrochloride (PubChem CID 70193720) has the molecular formula C8H11Cl2N5 and a molecular weight of 248.12 g/mol. Its IUPAC name is [4-(1,2,4-triazol-4-yl)phenyl]hydrazine;dihydrochloride.

Molecular Properties

Compound Name[4-(1,2,4-triazol-4-yl)phenyl]hydrazine;dihydrochloride
PubChem CID70193720
Molecular FormulaC8H11Cl2N5
Molecular Weight248.12 g/mol
Exact Mass247.04
IUPAC Name[4-(1,2,4-triazol-4-yl)phenyl]hydrazine;dihydrochloride
SMILESCl.Cl.NNc1ccc(-n2cnnc2)cc1
InChIInChI=1S/C8H9N5.2ClH/c9-12-7-1-3-8(4-2-7)13-5-10-11-6-13;;/h1-6,12H,9H2;2*1H
InChIKeyDEHLXOLUGKFNCI-UHFFFAOYSA-N
XLogP1.40
TPSA68.76 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.12
LogP ≤ 51.40
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-(1,2,4-triazol-4-yl)phenyl]hydrazine;dihydrochloride?
The IUPAC name of [4-(1,2,4-triazol-4-yl)phenyl]hydrazine;dihydrochloride (CID 70193720) is [4-(1,2,4-triazol-4-yl)phenyl]hydrazine;dihydrochloride.
What is the SMILES notation for [4-(1,2,4-triazol-4-yl)phenyl]hydrazine;dihydrochloride?
The canonical SMILES for [4-(1,2,4-triazol-4-yl)phenyl]hydrazine;dihydrochloride is Cl.Cl.NNc1ccc(-n2cnnc2)cc1.
What is the InChIKey of [4-(1,2,4-triazol-4-yl)phenyl]hydrazine;dihydrochloride?
The InChIKey is DEHLXOLUGKFNCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N5.2ClH/c9-12-7-1-3-8(4-2-7)13-5-10-11-6-13;;/h1-6,12H,9H2;2*1H.
What are the key properties of [4-(1,2,4-triazol-4-yl)phenyl]hydrazine;dihydrochloride?
[4-(1,2,4-triazol-4-yl)phenyl]hydrazine;dihydrochloride has a molecular weight of 248.12 g/mol, XLogP of 1.40, 2 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-4-yl)phenyl]hydrazine;dihydrochloride is sourced from PubChem (CID 70193720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).