[1-(2,4-difluoro-5-methylphenyl)-2-(2-propyl-1,2,4-triazol-3-yl)ethyl]hydrazine

C14H19F2N5 — CID 105319210

IUPAC[1-(2,4-difluoro-5-methylphenyl)-2-(2-propyl-1,2,4-triazol-3-yl)ethyl]hydrazine
SMILESCCCn1ncnc1CC(NN)c1cc(C)c(F)cc1F
InChIInChI=1S/C14H19F2N5/c1-3-4-21-14(18-8-19-21)7-13(20-17)10-5-9(2)11(15)6-12(10)16/h5-6,8,13,20H,3-4,7,17H2,1-2H3
InChIKeyXLYNCUGVMUBHMK-UHFFFAOYSA-N
MW295.34 g/mol
LogP2.02
Rot. Bonds6

About [1-(2,4-difluoro-5-methylphenyl)-2-(2-propyl-1,2,4-triazol-3-yl)ethyl]hydrazine

[1-(2,4-difluoro-5-methylphenyl)-2-(2-propyl-1,2,4-triazol-3-yl)ethyl]hydrazine (PubChem CID 105319210) has the molecular formula C14H19F2N5 and a molecular weight of 295.34 g/mol. Its IUPAC name is [1-(2,4-difluoro-5-methylphenyl)-2-(2-propyl-1,2,4-triazol-3-yl)ethyl]hydrazine.

Molecular Properties

Compound Name[1-(2,4-difluoro-5-methylphenyl)-2-(2-propyl-1,2,4-triazol-3-yl)ethyl]hydrazine
PubChem CID105319210
Molecular FormulaC14H19F2N5
Molecular Weight295.34 g/mol
Exact Mass295.16
IUPAC Name[1-(2,4-difluoro-5-methylphenyl)-2-(2-propyl-1,2,4-triazol-3-yl)ethyl]hydrazine
SMILESCCCn1ncnc1CC(NN)c1cc(C)c(F)cc1F
InChIInChI=1S/C14H19F2N5/c1-3-4-21-14(18-8-19-21)7-13(20-17)10-5-9(2)11(15)6-12(10)16/h5-6,8,13,20H,3-4,7,17H2,1-2H3
InChIKeyXLYNCUGVMUBHMK-UHFFFAOYSA-N
XLogP2.02
TPSA68.76 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 52.02
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

[2-(2-propyl-1,2,4-triazol-3-yl)-1-(3,4,5-trifluorophenyl)ethyl]hydrazine
CID 105208183
[1-(2-bromo-3-fluorophenyl)-2-(2-propyl-1,2,4-triazol-3-yl)ethyl]hydrazine
CID 105319144
[1-(2,4-difluoro-5-methylphenyl)-2-(1-methylimidazol-2-yl)ethyl]hydrazine
CID 105322993
[1-(2,5-difluorophenyl)-2-(2-ethyl-1,2,4-triazol-3-yl)ethyl]hydrazine
CID 105219430
[1-(3-fluoro-2-pyridinyl)-2-(2-propyl-1,2,4-triazol-3-yl)ethyl]hydrazine
CID 105257926
[1-(2-chlorophenyl)-2-(2-propyl-1,2,4-triazol-3-yl)ethyl]hydrazine
CID 105211153
[1-(3-bromo-4-methylphenyl)-2-(2-propyl-1,2,4-triazol-3-yl)ethyl]hydrazine
CID 105319130
[1-(4-chloro-2-fluorophenyl)-2-(2-ethyl-1,2,4-triazol-3-yl)ethyl]hydrazine
CID 105217914
[1-phenyl-2-(2-propyl-1,2,4-triazol-3-yl)ethyl]hydrazine
CID 105199354
[1-(3-methoxy-4-methylphenyl)-2-(2-propyl-1,2,4-triazol-3-yl)ethyl]hydrazine
CID 105319092
[1-(4-methylsulfanylphenyl)-2-(2-propyl-1,2,4-triazol-3-yl)ethyl]hydrazine
CID 105319203
1-(4-bromo-2-fluorophenyl)-N-methyl-2-(2-propyl-1,2,4-triazol-3-yl)ethanamine
CID 114906400

Frequently Asked Questions

What is the IUPAC name of [1-(2,4-difluoro-5-methylphenyl)-2-(2-propyl-1,2,4-triazol-3-yl)ethyl]hydrazine?
The IUPAC name of [1-(2,4-difluoro-5-methylphenyl)-2-(2-propyl-1,2,4-triazol-3-yl)ethyl]hydrazine (CID 105319210) is [1-(2,4-difluoro-5-methylphenyl)-2-(2-propyl-1,2,4-triazol-3-yl)ethyl]hydrazine.
What is the SMILES notation for [1-(2,4-difluoro-5-methylphenyl)-2-(2-propyl-1,2,4-triazol-3-yl)ethyl]hydrazine?
The canonical SMILES for [1-(2,4-difluoro-5-methylphenyl)-2-(2-propyl-1,2,4-triazol-3-yl)ethyl]hydrazine is CCCn1ncnc1CC(NN)c1cc(C)c(F)cc1F.
What is the InChIKey of [1-(2,4-difluoro-5-methylphenyl)-2-(2-propyl-1,2,4-triazol-3-yl)ethyl]hydrazine?
The InChIKey is XLYNCUGVMUBHMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F2N5/c1-3-4-21-14(18-8-19-21)7-13(20-17)10-5-9(2)11(15)6-12(10)16/h5-6,8,13,20H,3-4,7,17H2,1-2H3.
What are the key properties of [1-(2,4-difluoro-5-methylphenyl)-2-(2-propyl-1,2,4-triazol-3-yl)ethyl]hydrazine?
[1-(2,4-difluoro-5-methylphenyl)-2-(2-propyl-1,2,4-triazol-3-yl)ethyl]hydrazine has a molecular weight of 295.34 g/mol, XLogP of 2.02, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2,4-difluoro-5-methylphenyl)-2-(2-propyl-1,2,4-triazol-3-yl)ethyl]hydrazine is sourced from PubChem (CID 105319210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).