[5-methyl-2-(4-methylphenyl)-1,2,4-triazol-3-yl]methanamine

C11H14N4 — CID 82469703

IUPAC[5-methyl-2-(4-methylphenyl)-1,2,4-triazol-3-yl]methanamine
SMILESCc1ccc(-n2nc(C)nc2CN)cc1
InChIInChI=1S/C11H14N4/c1-8-3-5-10(6-4-8)15-11(7-12)13-9(2)14-15/h3-6H,7,12H2,1-2H3
InChIKeyQSJKLEUFYOUHLM-UHFFFAOYSA-N
MW202.26 g/mol
LogP1.34
Rot. Bonds2

About [5-methyl-2-(4-methylphenyl)-1,2,4-triazol-3-yl]methanamine

[5-methyl-2-(4-methylphenyl)-1,2,4-triazol-3-yl]methanamine (PubChem CID 82469703) has the molecular formula C11H14N4 and a molecular weight of 202.26 g/mol. Its IUPAC name is [5-methyl-2-(4-methylphenyl)-1,2,4-triazol-3-yl]methanamine.

Molecular Properties

Compound Name[5-methyl-2-(4-methylphenyl)-1,2,4-triazol-3-yl]methanamine
PubChem CID82469703
Molecular FormulaC11H14N4
Molecular Weight202.26 g/mol
Exact Mass202.12
IUPAC Name[5-methyl-2-(4-methylphenyl)-1,2,4-triazol-3-yl]methanamine
SMILESCc1ccc(-n2nc(C)nc2CN)cc1
InChIInChI=1S/C11H14N4/c1-8-3-5-10(6-4-8)15-11(7-12)13-9(2)14-15/h3-6H,7,12H2,1-2H3
InChIKeyQSJKLEUFYOUHLM-UHFFFAOYSA-N
XLogP1.34
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.26
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [5-methyl-2-(4-methylphenyl)-1,2,4-triazol-3-yl]methanamine with MolForge

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Related Compounds

[2-(4-fluorophenyl)-5-methyl-1,2,4-triazol-3-yl]methanamine
CID 82470262
[2-(4-methylphenyl)-1,2,4-triazol-3-yl]methanamine
CID 107447423
2-[2-(3,4-dichlorophenyl)-5-methyl-1,2,4-triazol-3-yl]ethanamine
CID 96667858
[2-(2,4-dichlorophenyl)-5-methyl-1,2,4-triazol-3-yl]methanamine
CID 82482816
[5-methyl-2-(4-propan-2-ylphenyl)-1,2,4-triazol-3-yl]methanol
CID 50984737
[4-(4-methylphenyl)-1,2,4-triazol-3-yl]methanamine;hydrochloride
CID 139034447
2-[2-(3-chloro-4-methylphenyl)-5-methyl-1,2,4-triazol-3-yl]ethanamine
CID 82481041
2-[2-(3-chloro-4-fluorophenyl)-5-methyl-1,2,4-triazol-3-yl]ethanamine
CID 82482089
[2-(4-tert-butylphenyl)-5-propan-2-yl-1,2,4-triazol-3-yl]methanamine
CID 96668709
1-(4-methylphenyl)-1,2,4-triazole-3,5-diamine
CID 21455595
4-(3,5-dimethyl-1,2,4-triazol-1-yl)aniline
CID 59974876
2-[2-(3-bromophenyl)-5-methyl-1,2,4-triazol-3-yl]ethanamine
CID 82489374

Frequently Asked Questions

What is the IUPAC name of [5-methyl-2-(4-methylphenyl)-1,2,4-triazol-3-yl]methanamine?
The IUPAC name of [5-methyl-2-(4-methylphenyl)-1,2,4-triazol-3-yl]methanamine (CID 82469703) is [5-methyl-2-(4-methylphenyl)-1,2,4-triazol-3-yl]methanamine.
What is the SMILES notation for [5-methyl-2-(4-methylphenyl)-1,2,4-triazol-3-yl]methanamine?
The canonical SMILES for [5-methyl-2-(4-methylphenyl)-1,2,4-triazol-3-yl]methanamine is Cc1ccc(-n2nc(C)nc2CN)cc1.
What is the InChIKey of [5-methyl-2-(4-methylphenyl)-1,2,4-triazol-3-yl]methanamine?
The InChIKey is QSJKLEUFYOUHLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4/c1-8-3-5-10(6-4-8)15-11(7-12)13-9(2)14-15/h3-6H,7,12H2,1-2H3.
What are the key properties of [5-methyl-2-(4-methylphenyl)-1,2,4-triazol-3-yl]methanamine?
[5-methyl-2-(4-methylphenyl)-1,2,4-triazol-3-yl]methanamine has a molecular weight of 202.26 g/mol, XLogP of 1.34, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-methyl-2-(4-methylphenyl)-1,2,4-triazol-3-yl]methanamine is sourced from PubChem (CID 82469703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).