[1-(3-methylbutyl)-5-[2-(4-methylphenyl)ethyl]triazol-4-yl]methanamine

C17H26N4 — CID 82208453

IUPAC[1-(3-methylbutyl)-5-[2-(4-methylphenyl)ethyl]triazol-4-yl]methanamine
SMILESCc1ccc(CCc2c(CN)nnn2CCC(C)C)cc1
InChIInChI=1S/C17H26N4/c1-13(2)10-11-21-17(16(12-18)19-20-21)9-8-15-6-4-14(3)5-7-15/h4-7,13H,8-12,18H2,1-3H3
InChIKeyKCCJXNMOHSZOAZ-UHFFFAOYSA-N
MW286.42 g/mol
LogP2.88
Rot. Bonds7

About [1-(3-methylbutyl)-5-[2-(4-methylphenyl)ethyl]triazol-4-yl]methanamine

[1-(3-methylbutyl)-5-[2-(4-methylphenyl)ethyl]triazol-4-yl]methanamine (PubChem CID 82208453) has the molecular formula C17H26N4 and a molecular weight of 286.42 g/mol. Its IUPAC name is [1-(3-methylbutyl)-5-[2-(4-methylphenyl)ethyl]triazol-4-yl]methanamine.

Molecular Properties

Compound Name[1-(3-methylbutyl)-5-[2-(4-methylphenyl)ethyl]triazol-4-yl]methanamine
PubChem CID82208453
Molecular FormulaC17H26N4
Molecular Weight286.42 g/mol
Exact Mass286.22
IUPAC Name[1-(3-methylbutyl)-5-[2-(4-methylphenyl)ethyl]triazol-4-yl]methanamine
SMILESCc1ccc(CCc2c(CN)nnn2CCC(C)C)cc1
InChIInChI=1S/C17H26N4/c1-13(2)10-11-21-17(16(12-18)19-20-21)9-8-15-6-4-14(3)5-7-15/h4-7,13H,8-12,18H2,1-3H3
InChIKeyKCCJXNMOHSZOAZ-UHFFFAOYSA-N
XLogP2.88
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.42
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [1-(3-methylbutyl)-5-[2-(4-methylphenyl)ethyl]triazol-4-yl]methanamine 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-ethyl-5-[2-(4-methylphenyl)ethyl]triazol-4-yl]methanamine
CID 82207508
[5-butyl-1-[(4-methylphenyl)methyl]triazol-4-yl]methanamine
CID 82203267
[5-[2-(4-methylphenyl)ethyl]-1-phenyltriazol-4-yl]methanamine
CID 82200300
[1-heptyl-5-[2-(4-methylphenyl)ethyl]triazol-4-yl]methanol
CID 98824391
[1-(3-methylbutyl)-5-pyridin-4-yltriazol-4-yl]methanamine
CID 82208441
5-[2-(4-methylphenyl)ethyl]-1-(2-methylpropyl)triazole-4-carbaldehyde
CID 82208736
[5-[2-(4-methylphenyl)ethyl]-1-(2-methylprop-2-enyl)triazol-4-yl]methanol
CID 82210815
[5-[2-(3,4-dimethoxyphenyl)ethyl]-1-ethyltriazol-4-yl]methanamine
CID 82207504
[5-(2-fluorophenyl)-1-(3-methylbutyl)triazol-4-yl]methanamine
CID 82208417
[5-ethyl-1-(3-phenylpropyl)triazol-4-yl]methanamine
CID 82208944
[5-[(4-methoxyphenyl)methyl]-1-(3-methylbutyl)triazol-4-yl]methanol
CID 82208301
5-methyl-1-(3-methylbutyl)triazol-4-amine
CID 79542788

Frequently Asked Questions

What is the IUPAC name of [1-(3-methylbutyl)-5-[2-(4-methylphenyl)ethyl]triazol-4-yl]methanamine?
The IUPAC name of [1-(3-methylbutyl)-5-[2-(4-methylphenyl)ethyl]triazol-4-yl]methanamine (CID 82208453) is [1-(3-methylbutyl)-5-[2-(4-methylphenyl)ethyl]triazol-4-yl]methanamine.
What is the SMILES notation for [1-(3-methylbutyl)-5-[2-(4-methylphenyl)ethyl]triazol-4-yl]methanamine?
The canonical SMILES for [1-(3-methylbutyl)-5-[2-(4-methylphenyl)ethyl]triazol-4-yl]methanamine is Cc1ccc(CCc2c(CN)nnn2CCC(C)C)cc1.
What is the InChIKey of [1-(3-methylbutyl)-5-[2-(4-methylphenyl)ethyl]triazol-4-yl]methanamine?
The InChIKey is KCCJXNMOHSZOAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4/c1-13(2)10-11-21-17(16(12-18)19-20-21)9-8-15-6-4-14(3)5-7-15/h4-7,13H,8-12,18H2,1-3H3.
What are the key properties of [1-(3-methylbutyl)-5-[2-(4-methylphenyl)ethyl]triazol-4-yl]methanamine?
[1-(3-methylbutyl)-5-[2-(4-methylphenyl)ethyl]triazol-4-yl]methanamine has a molecular weight of 286.42 g/mol, XLogP of 2.88, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3-methylbutyl)-5-[2-(4-methylphenyl)ethyl]triazol-4-yl]methanamine is sourced from PubChem (CID 82208453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).