[5-butyl-1-[(4-methylphenyl)methyl]triazol-4-yl]methanamine

C15H22N4 — CID 82203267

IUPAC[5-butyl-1-[(4-methylphenyl)methyl]triazol-4-yl]methanamine
SMILESCCCCc1c(CN)nnn1Cc1ccc(C)cc1
InChIInChI=1S/C15H22N4/c1-3-4-5-15-14(10-16)17-18-19(15)11-13-8-6-12(2)7-9-13/h6-9H,3-5,10-11,16H2,1-2H3
InChIKeyZGRLXGNKALKEOX-UHFFFAOYSA-N
MW258.37 g/mol
LogP2.44
Rot. Bonds6

About [5-butyl-1-[(4-methylphenyl)methyl]triazol-4-yl]methanamine

[5-butyl-1-[(4-methylphenyl)methyl]triazol-4-yl]methanamine (PubChem CID 82203267) has the molecular formula C15H22N4 and a molecular weight of 258.37 g/mol. Its IUPAC name is [5-butyl-1-[(4-methylphenyl)methyl]triazol-4-yl]methanamine.

Molecular Properties

Compound Name[5-butyl-1-[(4-methylphenyl)methyl]triazol-4-yl]methanamine
PubChem CID82203267
Molecular FormulaC15H22N4
Molecular Weight258.37 g/mol
Exact Mass258.18
IUPAC Name[5-butyl-1-[(4-methylphenyl)methyl]triazol-4-yl]methanamine
SMILESCCCCc1c(CN)nnn1Cc1ccc(C)cc1
InChIInChI=1S/C15H22N4/c1-3-4-5-15-14(10-16)17-18-19(15)11-13-8-6-12(2)7-9-13/h6-9H,3-5,10-11,16H2,1-2H3
InChIKeyZGRLXGNKALKEOX-UHFFFAOYSA-N
XLogP2.44
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.37
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [5-butyl-1-[(4-methylphenyl)methyl]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

[5-butyl-1-[(4-chlorophenyl)methyl]triazol-4-yl]methanamine
CID 82203355
(1-benzyl-5-propyltriazol-4-yl)methanamine
CID 82203130
[1-ethyl-5-[2-(4-methylphenyl)ethyl]triazol-4-yl]methanamine
CID 82207508
5-butyl-1-[(4-methylphenyl)methyl]triazole-4-carbonitrile
CID 82203184
(5-butyl-1-pentyltriazol-4-yl)methanamine
CID 82205828
[1-[(4-methylphenyl)methyl]-5-(thiophen-2-ylmethyl)triazol-4-yl]methanamine
CID 82203284
[5-cyclopropyl-1-[(4-methylphenyl)methyl]triazol-4-yl]methanamine
CID 82203271
[1-(3-methylbutyl)-5-[2-(4-methylphenyl)ethyl]triazol-4-yl]methanamine
CID 82208453
[5-(4-fluorophenyl)-1-[(4-methylphenyl)methyl]triazol-4-yl]methanamine
CID 82203283
(1-butyl-5-propyltriazol-4-yl)methanamine
CID 82205490
[5-(3-methylphenyl)-1-[(4-methylphenyl)methyl]triazol-4-yl]methanamine
CID 82203279
[1-hexyl-5-(4-methylphenyl)triazol-4-yl]methanamine
CID 82206097

Frequently Asked Questions

What is the IUPAC name of [5-butyl-1-[(4-methylphenyl)methyl]triazol-4-yl]methanamine?
The IUPAC name of [5-butyl-1-[(4-methylphenyl)methyl]triazol-4-yl]methanamine (CID 82203267) is [5-butyl-1-[(4-methylphenyl)methyl]triazol-4-yl]methanamine.
What is the SMILES notation for [5-butyl-1-[(4-methylphenyl)methyl]triazol-4-yl]methanamine?
The canonical SMILES for [5-butyl-1-[(4-methylphenyl)methyl]triazol-4-yl]methanamine is CCCCc1c(CN)nnn1Cc1ccc(C)cc1.
What is the InChIKey of [5-butyl-1-[(4-methylphenyl)methyl]triazol-4-yl]methanamine?
The InChIKey is ZGRLXGNKALKEOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4/c1-3-4-5-15-14(10-16)17-18-19(15)11-13-8-6-12(2)7-9-13/h6-9H,3-5,10-11,16H2,1-2H3.
What are the key properties of [5-butyl-1-[(4-methylphenyl)methyl]triazol-4-yl]methanamine?
[5-butyl-1-[(4-methylphenyl)methyl]triazol-4-yl]methanamine has a molecular weight of 258.37 g/mol, XLogP of 2.44, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-butyl-1-[(4-methylphenyl)methyl]triazol-4-yl]methanamine is sourced from PubChem (CID 82203267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).