[1-phenyl-2-(2-propyl-1,2,4-triazol-3-yl)ethyl]hydrazine

C13H19N5 — CID 105199354

IUPAC[1-phenyl-2-(2-propyl-1,2,4-triazol-3-yl)ethyl]hydrazine
SMILESCCCn1ncnc1CC(NN)c1ccccc1
InChIInChI=1S/C13H19N5/c1-2-8-18-13(15-10-16-18)9-12(17-14)11-6-4-3-5-7-11/h3-7,10,12,17H,2,8-9,14H2,1H3
InChIKeyFYLWOGKZJAUANY-UHFFFAOYSA-N
MW245.33 g/mol
LogP1.44
Rot. Bonds6

About [1-phenyl-2-(2-propyl-1,2,4-triazol-3-yl)ethyl]hydrazine

[1-phenyl-2-(2-propyl-1,2,4-triazol-3-yl)ethyl]hydrazine (PubChem CID 105199354) has the molecular formula C13H19N5 and a molecular weight of 245.33 g/mol. Its IUPAC name is [1-phenyl-2-(2-propyl-1,2,4-triazol-3-yl)ethyl]hydrazine.

Molecular Properties

Compound Name[1-phenyl-2-(2-propyl-1,2,4-triazol-3-yl)ethyl]hydrazine
PubChem CID105199354
Molecular FormulaC13H19N5
Molecular Weight245.33 g/mol
Exact Mass245.16
IUPAC Name[1-phenyl-2-(2-propyl-1,2,4-triazol-3-yl)ethyl]hydrazine
SMILESCCCn1ncnc1CC(NN)c1ccccc1
InChIInChI=1S/C13H19N5/c1-2-8-18-13(15-10-16-18)9-12(17-14)11-6-4-3-5-7-11/h3-7,10,12,17H,2,8-9,14H2,1H3
InChIKeyFYLWOGKZJAUANY-UHFFFAOYSA-N
XLogP1.44
TPSA68.76 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 51.44
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

[1-(4-methylsulfanylphenyl)-2-(2-propyl-1,2,4-triazol-3-yl)ethyl]hydrazine
CID 105319203
[1-(4-ethylsulfanylphenyl)-2-(2-propyl-1,2,4-triazol-3-yl)ethyl]hydrazine
CID 106850511
[1-(2-chlorophenyl)-2-(2-propyl-1,2,4-triazol-3-yl)ethyl]hydrazine
CID 105211153
[2-(2-propyl-1,2,4-triazol-3-yl)-1-(3,4,5-trifluorophenyl)ethyl]hydrazine
CID 105208183
[1-(3-bromo-4-methylphenyl)-2-(2-propyl-1,2,4-triazol-3-yl)ethyl]hydrazine
CID 105319130
[1-(3-methoxy-4-methylphenyl)-2-(2-propyl-1,2,4-triazol-3-yl)ethyl]hydrazine
CID 105319092
[1-(3-fluoro-2-pyridinyl)-2-(2-propyl-1,2,4-triazol-3-yl)ethyl]hydrazine
CID 105257926
[2-(2-ethyl-1,2,4-triazol-3-yl)-1-pyridin-4-ylethyl]hydrazine
CID 105196541
[1-(2-bromo-3-fluorophenyl)-2-(2-propyl-1,2,4-triazol-3-yl)ethyl]hydrazine
CID 105319144
[2-(2-propyl-1,2,4-triazol-3-yl)-1-(2H-triazol-4-yl)ethyl]hydrazine
CID 105254865
[1-(4-butoxyphenyl)-2-(2-methyl-1,2,4-triazol-3-yl)ethyl]hydrazine
CID 105316582
1-(2-iodophenyl)-N-methyl-2-(2-propyl-1,2,4-triazol-3-yl)ethanamine
CID 105002993

Frequently Asked Questions

What is the IUPAC name of [1-phenyl-2-(2-propyl-1,2,4-triazol-3-yl)ethyl]hydrazine?
The IUPAC name of [1-phenyl-2-(2-propyl-1,2,4-triazol-3-yl)ethyl]hydrazine (CID 105199354) is [1-phenyl-2-(2-propyl-1,2,4-triazol-3-yl)ethyl]hydrazine.
What is the SMILES notation for [1-phenyl-2-(2-propyl-1,2,4-triazol-3-yl)ethyl]hydrazine?
The canonical SMILES for [1-phenyl-2-(2-propyl-1,2,4-triazol-3-yl)ethyl]hydrazine is CCCn1ncnc1CC(NN)c1ccccc1.
What is the InChIKey of [1-phenyl-2-(2-propyl-1,2,4-triazol-3-yl)ethyl]hydrazine?
The InChIKey is FYLWOGKZJAUANY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5/c1-2-8-18-13(15-10-16-18)9-12(17-14)11-6-4-3-5-7-11/h3-7,10,12,17H,2,8-9,14H2,1H3.
What are the key properties of [1-phenyl-2-(2-propyl-1,2,4-triazol-3-yl)ethyl]hydrazine?
[1-phenyl-2-(2-propyl-1,2,4-triazol-3-yl)ethyl]hydrazine has a molecular weight of 245.33 g/mol, XLogP of 1.44, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-phenyl-2-(2-propyl-1,2,4-triazol-3-yl)ethyl]hydrazine is sourced from PubChem (CID 105199354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).