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

C14H20BrN5 — CID 105319130

IUPAC[1-(3-bromo-4-methylphenyl)-2-(2-propyl-1,2,4-triazol-3-yl)ethyl]hydrazine
SMILESCCCn1ncnc1CC(NN)c1ccc(C)c(Br)c1
InChIInChI=1S/C14H20BrN5/c1-3-6-20-14(17-9-18-20)8-13(19-16)11-5-4-10(2)12(15)7-11/h4-5,7,9,13,19H,3,6,8,16H2,1-2H3
InChIKeyKSIOJRRRQQYDTB-UHFFFAOYSA-N
MW338.25 g/mol
LogP2.51
Rot. Bonds6

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

[1-(3-bromo-4-methylphenyl)-2-(2-propyl-1,2,4-triazol-3-yl)ethyl]hydrazine (PubChem CID 105319130) has the molecular formula C14H20BrN5 and a molecular weight of 338.25 g/mol. Its IUPAC name is [1-(3-bromo-4-methylphenyl)-2-(2-propyl-1,2,4-triazol-3-yl)ethyl]hydrazine.

Molecular Properties

Compound Name[1-(3-bromo-4-methylphenyl)-2-(2-propyl-1,2,4-triazol-3-yl)ethyl]hydrazine
PubChem CID105319130
Molecular FormulaC14H20BrN5
Molecular Weight338.25 g/mol
Exact Mass337.09
IUPAC Name[1-(3-bromo-4-methylphenyl)-2-(2-propyl-1,2,4-triazol-3-yl)ethyl]hydrazine
SMILESCCCn1ncnc1CC(NN)c1ccc(C)c(Br)c1
InChIInChI=1S/C14H20BrN5/c1-3-6-20-14(17-9-18-20)8-13(19-16)11-5-4-10(2)12(15)7-11/h4-5,7,9,13,19H,3,6,8,16H2,1-2H3
InChIKeyKSIOJRRRQQYDTB-UHFFFAOYSA-N
XLogP2.51
TPSA68.76 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.25
LogP ≤ 52.51
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-(3-methoxy-4-methylphenyl)-2-(2-propyl-1,2,4-triazol-3-yl)ethyl]hydrazine
CID 105319092
[1-phenyl-2-(2-propyl-1,2,4-triazol-3-yl)ethyl]hydrazine
CID 105199354
[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
[2-(2-propyl-1,2,4-triazol-3-yl)-1-(3,4,5-trifluorophenyl)ethyl]hydrazine
CID 105208183
1-(3-chloro-4-methylphenyl)-N-ethyl-2-(2-propyl-1,2,4-triazol-3-yl)ethanamine
CID 105003241
[1-(2,4-difluoro-5-methylphenyl)-2-(2-propyl-1,2,4-triazol-3-yl)ethyl]hydrazine
CID 105319210
1-(5-bromo-2-methylphenyl)-N-ethyl-2-(2-propyl-1,2,4-triazol-3-yl)ethanamine
CID 105003000
[1-(2-bromo-3-fluorophenyl)-2-(2-propyl-1,2,4-triazol-3-yl)ethyl]hydrazine
CID 105319144
[2-(2-ethyl-1,2,4-triazol-3-yl)-1-(2-methyl-4-pyridinyl)ethyl]hydrazine
CID 106756611
1-(3-bromo-4-methoxyphenyl)-2-(2-propyl-1,2,4-triazol-3-yl)ethanamine
CID 105003150
[1-(2-chlorophenyl)-2-(2-propyl-1,2,4-triazol-3-yl)ethyl]hydrazine
CID 105211153

Frequently Asked Questions

What is the IUPAC name of [1-(3-bromo-4-methylphenyl)-2-(2-propyl-1,2,4-triazol-3-yl)ethyl]hydrazine?
The IUPAC name of [1-(3-bromo-4-methylphenyl)-2-(2-propyl-1,2,4-triazol-3-yl)ethyl]hydrazine (CID 105319130) is [1-(3-bromo-4-methylphenyl)-2-(2-propyl-1,2,4-triazol-3-yl)ethyl]hydrazine.
What is the SMILES notation for [1-(3-bromo-4-methylphenyl)-2-(2-propyl-1,2,4-triazol-3-yl)ethyl]hydrazine?
The canonical SMILES for [1-(3-bromo-4-methylphenyl)-2-(2-propyl-1,2,4-triazol-3-yl)ethyl]hydrazine is CCCn1ncnc1CC(NN)c1ccc(C)c(Br)c1.
What is the InChIKey of [1-(3-bromo-4-methylphenyl)-2-(2-propyl-1,2,4-triazol-3-yl)ethyl]hydrazine?
The InChIKey is KSIOJRRRQQYDTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20BrN5/c1-3-6-20-14(17-9-18-20)8-13(19-16)11-5-4-10(2)12(15)7-11/h4-5,7,9,13,19H,3,6,8,16H2,1-2H3.
What are the key properties of [1-(3-bromo-4-methylphenyl)-2-(2-propyl-1,2,4-triazol-3-yl)ethyl]hydrazine?
[1-(3-bromo-4-methylphenyl)-2-(2-propyl-1,2,4-triazol-3-yl)ethyl]hydrazine has a molecular weight of 338.25 g/mol, XLogP of 2.51, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3-bromo-4-methylphenyl)-2-(2-propyl-1,2,4-triazol-3-yl)ethyl]hydrazine is sourced from PubChem (CID 105319130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).