[1-(4-butoxyphenyl)-2-(2-methyl-1,2,4-triazol-3-yl)ethyl]hydrazine

C15H23N5O — CID 105316582

IUPAC[1-(4-butoxyphenyl)-2-(2-methyl-1,2,4-triazol-3-yl)ethyl]hydrazine
SMILESCCCCOc1ccc(C(Cc2ncnn2C)NN)cc1
InChIInChI=1S/C15H23N5O/c1-3-4-9-21-13-7-5-12(6-8-13)14(19-16)10-15-17-11-18-20(15)2/h5-8,11,14,19H,3-4,9-10,16H2,1-2H3
InChIKeyXSUIOMLDQBMJNG-UHFFFAOYSA-N
MW289.38 g/mol
LogP1.74
Rot. Bonds8

About [1-(4-butoxyphenyl)-2-(2-methyl-1,2,4-triazol-3-yl)ethyl]hydrazine

[1-(4-butoxyphenyl)-2-(2-methyl-1,2,4-triazol-3-yl)ethyl]hydrazine (PubChem CID 105316582) has the molecular formula C15H23N5O and a molecular weight of 289.38 g/mol. Its IUPAC name is [1-(4-butoxyphenyl)-2-(2-methyl-1,2,4-triazol-3-yl)ethyl]hydrazine.

Molecular Properties

Compound Name[1-(4-butoxyphenyl)-2-(2-methyl-1,2,4-triazol-3-yl)ethyl]hydrazine
PubChem CID105316582
Molecular FormulaC15H23N5O
Molecular Weight289.38 g/mol
Exact Mass289.19
IUPAC Name[1-(4-butoxyphenyl)-2-(2-methyl-1,2,4-triazol-3-yl)ethyl]hydrazine
SMILESCCCCOc1ccc(C(Cc2ncnn2C)NN)cc1
InChIInChI=1S/C15H23N5O/c1-3-4-9-21-13-7-5-12(6-8-13)14(19-16)10-15-17-11-18-20(15)2/h5-8,11,14,19H,3-4,9-10,16H2,1-2H3
InChIKeyXSUIOMLDQBMJNG-UHFFFAOYSA-N
XLogP1.74
TPSA77.99 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-[1-hydrazinyl-2-(2-methyl-1,2,4-triazol-3-yl)ethyl]-N,N-dimethylaniline
CID 105316424
[1-(3,4-difluorophenyl)-2-(2-methyl-1,2,4-triazol-3-yl)ethyl]hydrazine
CID 105197069
1-(4-butoxyphenyl)pentylhydrazine
CID 105293831
[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-butoxyphenyl)-2-(1,3-thiazol-2-yl)ethyl]hydrazine
CID 105324666
[2-(2-methyl-1,2,4-triazol-3-yl)-1-pyridin-3-ylethyl]hydrazine
CID 105196128
[1-(4-ethylsulfanylphenyl)-2-(2-propyl-1,2,4-triazol-3-yl)ethyl]hydrazine
CID 106850511
[1-[4-bromo-3-(trifluoromethyl)phenyl]-2-(2-methyl-1,2,4-triazol-3-yl)ethyl]hydrazine
CID 105316604
[1-(6-methoxypyridazin-3-yl)-2-(2-methyl-1,2,4-triazol-3-yl)ethyl]hydrazine
CID 103375604
(1R)-1-[4-[(2-methyl-1,2,4-triazol-3-yl)methoxy]phenyl]ethanamine
CID 79013804
[2-(2-ethyl-1,2,4-triazol-3-yl)-1-pyridin-4-ylethyl]hydrazine
CID 105196541

Frequently Asked Questions

What is the IUPAC name of [1-(4-butoxyphenyl)-2-(2-methyl-1,2,4-triazol-3-yl)ethyl]hydrazine?
The IUPAC name of [1-(4-butoxyphenyl)-2-(2-methyl-1,2,4-triazol-3-yl)ethyl]hydrazine (CID 105316582) is [1-(4-butoxyphenyl)-2-(2-methyl-1,2,4-triazol-3-yl)ethyl]hydrazine.
What is the SMILES notation for [1-(4-butoxyphenyl)-2-(2-methyl-1,2,4-triazol-3-yl)ethyl]hydrazine?
The canonical SMILES for [1-(4-butoxyphenyl)-2-(2-methyl-1,2,4-triazol-3-yl)ethyl]hydrazine is CCCCOc1ccc(C(Cc2ncnn2C)NN)cc1.
What is the InChIKey of [1-(4-butoxyphenyl)-2-(2-methyl-1,2,4-triazol-3-yl)ethyl]hydrazine?
The InChIKey is XSUIOMLDQBMJNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N5O/c1-3-4-9-21-13-7-5-12(6-8-13)14(19-16)10-15-17-11-18-20(15)2/h5-8,11,14,19H,3-4,9-10,16H2,1-2H3.
What are the key properties of [1-(4-butoxyphenyl)-2-(2-methyl-1,2,4-triazol-3-yl)ethyl]hydrazine?
[1-(4-butoxyphenyl)-2-(2-methyl-1,2,4-triazol-3-yl)ethyl]hydrazine has a molecular weight of 289.38 g/mol, XLogP of 1.74, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-butoxyphenyl)-2-(2-methyl-1,2,4-triazol-3-yl)ethyl]hydrazine is sourced from PubChem (CID 105316582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).