1-(4-ethoxyphenyl)-3-pentyl-1,2,4-triazole

C15H21N3O — CID 91159572

IUPAC1-(4-ethoxyphenyl)-3-pentyl-1,2,4-triazole
SMILESCCCCCc1ncn(-c2ccc(OCC)cc2)n1
InChIInChI=1S/C15H21N3O/c1-3-5-6-7-15-16-12-18(17-15)13-8-10-14(11-9-13)19-4-2/h8-12H,3-7H2,1-2H3
InChIKeyXBNZSRHKXMEBPN-UHFFFAOYSA-N
MW259.35 g/mol
LogP3.40
Rot. Bonds7

About 1-(4-ethoxyphenyl)-3-pentyl-1,2,4-triazole

1-(4-ethoxyphenyl)-3-pentyl-1,2,4-triazole (PubChem CID 91159572) has the molecular formula C15H21N3O and a molecular weight of 259.35 g/mol. Its IUPAC name is 1-(4-ethoxyphenyl)-3-pentyl-1,2,4-triazole.

Molecular Properties

Compound Name1-(4-ethoxyphenyl)-3-pentyl-1,2,4-triazole
PubChem CID91159572
Molecular FormulaC15H21N3O
Molecular Weight259.35 g/mol
Exact Mass259.17
IUPAC Name1-(4-ethoxyphenyl)-3-pentyl-1,2,4-triazole
SMILESCCCCCc1ncn(-c2ccc(OCC)cc2)n1
InChIInChI=1S/C15H21N3O/c1-3-5-6-7-15-16-12-18(17-15)13-8-10-14(11-9-13)19-4-2/h8-12H,3-7H2,1-2H3
InChIKeyXBNZSRHKXMEBPN-UHFFFAOYSA-N
XLogP3.40
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 1-(4-ethoxyphenyl)-3-pentyl-1,2,4-triazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(4-ethoxyphenyl)-3-ethyl-1,2,4-triazole
CID 90935639
1-(4-ethoxyphenyl)-3-(1,2,4-triazol-4-yl)-1,2,4-triazole
CID 71253286
1-(4-butoxyphenyl)-1,2,4-triazole
CID 11458616
5-[2-(4-ethoxyphenyl)ethyl]-2-pentylpyridine
CID 54545830
1-(4-hexoxyphenyl)pyrazole
CID 67650161
1-ethoxy-4-[(E)-2-(4-octylphenyl)ethenyl]benzene
CID 22662535
1-[4-[[2-(1-methylpyrazol-4-yl)-5-pentyl-1,2,4-triazol-3-yl]methoxy]phenyl]tetrazole
CID 138378359
1,4-dipentoxybenzene
CID 18314717
2-[1-(4-fluorophenyl)-1,2,4-triazol-3-yl]ethanamine
CID 83820004
dichloro-(4-ethoxyphenyl)-hexylsilane
CID 139899605
(4-ethoxyphenyl)-heptyl-dimethylsilane
CID 67899813
[1-(4-ethylphenyl)-1,2,4-triazol-3-yl]methanamine
CID 83819506

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethoxyphenyl)-3-pentyl-1,2,4-triazole?
The IUPAC name of 1-(4-ethoxyphenyl)-3-pentyl-1,2,4-triazole (CID 91159572) is 1-(4-ethoxyphenyl)-3-pentyl-1,2,4-triazole.
What is the SMILES notation for 1-(4-ethoxyphenyl)-3-pentyl-1,2,4-triazole?
The canonical SMILES for 1-(4-ethoxyphenyl)-3-pentyl-1,2,4-triazole is CCCCCc1ncn(-c2ccc(OCC)cc2)n1.
What is the InChIKey of 1-(4-ethoxyphenyl)-3-pentyl-1,2,4-triazole?
The InChIKey is XBNZSRHKXMEBPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O/c1-3-5-6-7-15-16-12-18(17-15)13-8-10-14(11-9-13)19-4-2/h8-12H,3-7H2,1-2H3.
What are the key properties of 1-(4-ethoxyphenyl)-3-pentyl-1,2,4-triazole?
1-(4-ethoxyphenyl)-3-pentyl-1,2,4-triazole has a molecular weight of 259.35 g/mol, XLogP of 3.40, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethoxyphenyl)-3-pentyl-1,2,4-triazole is sourced from PubChem (CID 91159572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).