[5-[(E)-2-(4-fluorophenyl)ethenyl]-4-methyl-1,2,4-triazol-3-yl]hydrazine

C11H12FN5 — CID 35754962

IUPAC[5-[(E)-2-(4-fluorophenyl)ethenyl]-4-methyl-1,2,4-triazol-3-yl]hydrazine
SMILESCn1c(/C=C/c2ccc(F)cc2)nnc1NN
InChIInChI=1S/C11H12FN5/c1-17-10(15-16-11(17)14-13)7-4-8-2-5-9(12)6-3-8/h2-7H,13H2,1H3,(H,14,16)/b7-4+
InChIKeyAHOWQKNOXJOFSD-QPJJXVBHSA-N
MW233.25 g/mol
LogP1.41
Rot. Bonds3

About [5-[(E)-2-(4-fluorophenyl)ethenyl]-4-methyl-1,2,4-triazol-3-yl]hydrazine

[5-[(E)-2-(4-fluorophenyl)ethenyl]-4-methyl-1,2,4-triazol-3-yl]hydrazine (PubChem CID 35754962) has the molecular formula C11H12FN5 and a molecular weight of 233.25 g/mol. Its IUPAC name is [5-[(E)-2-(4-fluorophenyl)ethenyl]-4-methyl-1,2,4-triazol-3-yl]hydrazine.

Molecular Properties

Compound Name[5-[(E)-2-(4-fluorophenyl)ethenyl]-4-methyl-1,2,4-triazol-3-yl]hydrazine
PubChem CID35754962
Molecular FormulaC11H12FN5
Molecular Weight233.25 g/mol
Exact Mass233.11
IUPAC Name[5-[(E)-2-(4-fluorophenyl)ethenyl]-4-methyl-1,2,4-triazol-3-yl]hydrazine
SMILESCn1c(/C=C/c2ccc(F)cc2)nnc1NN
InChIInChI=1S/C11H12FN5/c1-17-10(15-16-11(17)14-13)7-4-8-2-5-9(12)6-3-8/h2-7H,13H2,1H3,(H,14,16)/b7-4+
InChIKeyAHOWQKNOXJOFSD-QPJJXVBHSA-N
XLogP1.41
TPSA68.76 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.25
LogP ≤ 51.41
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 [5-[(E)-2-(4-fluorophenyl)ethenyl]-4-methyl-1,2,4-triazol-3-yl]hydrazine?
The IUPAC name of [5-[(E)-2-(4-fluorophenyl)ethenyl]-4-methyl-1,2,4-triazol-3-yl]hydrazine (CID 35754962) is [5-[(E)-2-(4-fluorophenyl)ethenyl]-4-methyl-1,2,4-triazol-3-yl]hydrazine.
What is the SMILES notation for [5-[(E)-2-(4-fluorophenyl)ethenyl]-4-methyl-1,2,4-triazol-3-yl]hydrazine?
The canonical SMILES for [5-[(E)-2-(4-fluorophenyl)ethenyl]-4-methyl-1,2,4-triazol-3-yl]hydrazine is Cn1c(/C=C/c2ccc(F)cc2)nnc1NN.
What is the InChIKey of [5-[(E)-2-(4-fluorophenyl)ethenyl]-4-methyl-1,2,4-triazol-3-yl]hydrazine?
The InChIKey is AHOWQKNOXJOFSD-QPJJXVBHSA-N. The full InChI is InChI=1S/C11H12FN5/c1-17-10(15-16-11(17)14-13)7-4-8-2-5-9(12)6-3-8/h2-7H,13H2,1H3,(H,14,16)/b7-4+.
What are the key properties of [5-[(E)-2-(4-fluorophenyl)ethenyl]-4-methyl-1,2,4-triazol-3-yl]hydrazine?
[5-[(E)-2-(4-fluorophenyl)ethenyl]-4-methyl-1,2,4-triazol-3-yl]hydrazine has a molecular weight of 233.25 g/mol, XLogP of 1.41, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[(E)-2-(4-fluorophenyl)ethenyl]-4-methyl-1,2,4-triazol-3-yl]hydrazine is sourced from PubChem (CID 35754962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).