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

C13H18ClN5 — CID 105211153

IUPAC[1-(2-chlorophenyl)-2-(2-propyl-1,2,4-triazol-3-yl)ethyl]hydrazine
SMILESCCCn1ncnc1CC(NN)c1ccccc1Cl
InChIInChI=1S/C13H18ClN5/c1-2-7-19-13(16-9-17-19)8-12(18-15)10-5-3-4-6-11(10)14/h3-6,9,12,18H,2,7-8,15H2,1H3
InChIKeyKPHAKOYRQUWUPB-UHFFFAOYSA-N
MW279.77 g/mol
LogP2.09
Rot. Bonds6

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

[1-(2-chlorophenyl)-2-(2-propyl-1,2,4-triazol-3-yl)ethyl]hydrazine (PubChem CID 105211153) has the molecular formula C13H18ClN5 and a molecular weight of 279.77 g/mol. Its IUPAC name is [1-(2-chlorophenyl)-2-(2-propyl-1,2,4-triazol-3-yl)ethyl]hydrazine.

Molecular Properties

Compound Name[1-(2-chlorophenyl)-2-(2-propyl-1,2,4-triazol-3-yl)ethyl]hydrazine
PubChem CID105211153
Molecular FormulaC13H18ClN5
Molecular Weight279.77 g/mol
Exact Mass279.13
IUPAC Name[1-(2-chlorophenyl)-2-(2-propyl-1,2,4-triazol-3-yl)ethyl]hydrazine
SMILESCCCn1ncnc1CC(NN)c1ccccc1Cl
InChIInChI=1S/C13H18ClN5/c1-2-7-19-13(16-9-17-19)8-12(18-15)10-5-3-4-6-11(10)14/h3-6,9,12,18H,2,7-8,15H2,1H3
InChIKeyKPHAKOYRQUWUPB-UHFFFAOYSA-N
XLogP2.09
TPSA68.76 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.77
LogP ≤ 52.09
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-phenyl-2-(2-propyl-1,2,4-triazol-3-yl)ethyl]hydrazine
CID 105199354
[1-(2-bromo-3-fluorophenyl)-2-(2-propyl-1,2,4-triazol-3-yl)ethyl]hydrazine
CID 105319144
[1-(2-chlorophenyl)-2-(1-propylimidazol-2-yl)ethyl]hydrazine
CID 105211188
1-(2-iodophenyl)-N-methyl-2-(2-propyl-1,2,4-triazol-3-yl)ethanamine
CID 105002993
[1-(4-methylsulfanylphenyl)-2-(2-propyl-1,2,4-triazol-3-yl)ethyl]hydrazine
CID 105319203
[1-(2,4-difluoro-5-methylphenyl)-2-(2-propyl-1,2,4-triazol-3-yl)ethyl]hydrazine
CID 105319210
[1-(3-fluoro-2-pyridinyl)-2-(2-propyl-1,2,4-triazol-3-yl)ethyl]hydrazine
CID 105257926
[1-(4-ethylsulfanylphenyl)-2-(2-propyl-1,2,4-triazol-3-yl)ethyl]hydrazine
CID 106850511
1-(4-bromo-2-chlorophenyl)-N-methyl-2-(2-propyl-1,2,4-triazol-3-yl)ethanamine
CID 105002924
[2-(2-propyl-1,2,4-triazol-3-yl)-1-(2H-triazol-4-yl)ethyl]hydrazine
CID 105254865
[2-(2-propyl-1,2,4-triazol-3-yl)-1-(3,4,5-trifluorophenyl)ethyl]hydrazine
CID 105208183
[1-(2-chloro-4-fluorophenyl)-2-(2-methyl-1,2,4-triazol-3-yl)ethyl]hydrazine
CID 105215350

Frequently Asked Questions

What is the IUPAC name of [1-(2-chlorophenyl)-2-(2-propyl-1,2,4-triazol-3-yl)ethyl]hydrazine?
The IUPAC name of [1-(2-chlorophenyl)-2-(2-propyl-1,2,4-triazol-3-yl)ethyl]hydrazine (CID 105211153) is [1-(2-chlorophenyl)-2-(2-propyl-1,2,4-triazol-3-yl)ethyl]hydrazine.
What is the SMILES notation for [1-(2-chlorophenyl)-2-(2-propyl-1,2,4-triazol-3-yl)ethyl]hydrazine?
The canonical SMILES for [1-(2-chlorophenyl)-2-(2-propyl-1,2,4-triazol-3-yl)ethyl]hydrazine is CCCn1ncnc1CC(NN)c1ccccc1Cl.
What is the InChIKey of [1-(2-chlorophenyl)-2-(2-propyl-1,2,4-triazol-3-yl)ethyl]hydrazine?
The InChIKey is KPHAKOYRQUWUPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClN5/c1-2-7-19-13(16-9-17-19)8-12(18-15)10-5-3-4-6-11(10)14/h3-6,9,12,18H,2,7-8,15H2,1H3.
What are the key properties of [1-(2-chlorophenyl)-2-(2-propyl-1,2,4-triazol-3-yl)ethyl]hydrazine?
[1-(2-chlorophenyl)-2-(2-propyl-1,2,4-triazol-3-yl)ethyl]hydrazine has a molecular weight of 279.77 g/mol, XLogP of 2.09, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-chlorophenyl)-2-(2-propyl-1,2,4-triazol-3-yl)ethyl]hydrazine is sourced from PubChem (CID 105211153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).