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

C13H18N4O2 — CID 82485568

IUPAC[5-(2,5-dimethoxy-4-methylphenyl)-2-methyl-1,2,4-triazol-3-yl]methanamine
SMILESCOc1cc(-c2nc(CN)n(C)n2)c(OC)cc1C
InChIInChI=1S/C13H18N4O2/c1-8-5-11(19-4)9(6-10(8)18-3)13-15-12(7-14)17(2)16-13/h5-6H,7,14H2,1-4H3
InChIKeyAYLMFZVIBIXLMR-UHFFFAOYSA-N
MW262.31 g/mol
LogP1.27
Rot. Bonds4

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

[5-(2,5-dimethoxy-4-methylphenyl)-2-methyl-1,2,4-triazol-3-yl]methanamine (PubChem CID 82485568) has the molecular formula C13H18N4O2 and a molecular weight of 262.31 g/mol. Its IUPAC name is [5-(2,5-dimethoxy-4-methylphenyl)-2-methyl-1,2,4-triazol-3-yl]methanamine.

Molecular Properties

Compound Name[5-(2,5-dimethoxy-4-methylphenyl)-2-methyl-1,2,4-triazol-3-yl]methanamine
PubChem CID82485568
Molecular FormulaC13H18N4O2
Molecular Weight262.31 g/mol
Exact Mass262.14
IUPAC Name[5-(2,5-dimethoxy-4-methylphenyl)-2-methyl-1,2,4-triazol-3-yl]methanamine
SMILESCOc1cc(-c2nc(CN)n(C)n2)c(OC)cc1C
InChIInChI=1S/C13H18N4O2/c1-8-5-11(19-4)9(6-10(8)18-3)13-15-12(7-14)17(2)16-13/h5-6H,7,14H2,1-4H3
InChIKeyAYLMFZVIBIXLMR-UHFFFAOYSA-N
XLogP1.27
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [5-(2,5-dimethoxy-4-methylphenyl)-2-methyl-1,2,4-triazol-3-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-(2-methoxy-5-propan-2-ylphenyl)-2-methyl-1,2,4-triazol-3-yl]methanamine
CID 82484705
2-[5-(2-methoxy-3,5-dimethylphenyl)-2-methyl-1,2,4-triazol-3-yl]ethanamine
CID 82484719
5-(2,5-dimethoxy-4-methylphenyl)-1-methylpyrazole
CID 116869159
(2-methyl-5-phenyl-1,2,4-triazol-3-yl)methanamine
CID 62732620
[4-(4-methoxy-2,5-dimethylphenyl)-6-methyl-1,3,5-triazin-2-yl]methanamine
CID 82483544
[5-(2-methoxy-4,5-dimethylphenyl)-4-methyl-1,3-oxazol-2-yl]methanamine
CID 82086154
2-[5-(4-methoxy-2,5-dimethylphenyl)-3-methylpyrazol-1-yl]ethanamine
CID 82484180
5-(2-methoxy-4,5-dimethylphenyl)-1-methylpyrazole-3-carbonitrile
CID 116858633
[5-(4-bromothiophen-2-yl)-2-methyl-1,2,4-triazol-3-yl]methanamine
CID 82488638
2-[5-(3-ethyl-4-methoxyphenyl)-2-methyl-1,2,4-triazol-3-yl]ethanamine
CID 96665628
[4-bromo-3-(2,5-dimethoxy-4-methylphenyl)-1H-pyrazol-5-yl]methanamine
CID 84606646
1,4-dimethoxy-2,5-dimethylbenzene;dihydrochloride
CID 172845974

Frequently Asked Questions

What is the IUPAC name of [5-(2,5-dimethoxy-4-methylphenyl)-2-methyl-1,2,4-triazol-3-yl]methanamine?
The IUPAC name of [5-(2,5-dimethoxy-4-methylphenyl)-2-methyl-1,2,4-triazol-3-yl]methanamine (CID 82485568) is [5-(2,5-dimethoxy-4-methylphenyl)-2-methyl-1,2,4-triazol-3-yl]methanamine.
What is the SMILES notation for [5-(2,5-dimethoxy-4-methylphenyl)-2-methyl-1,2,4-triazol-3-yl]methanamine?
The canonical SMILES for [5-(2,5-dimethoxy-4-methylphenyl)-2-methyl-1,2,4-triazol-3-yl]methanamine is COc1cc(-c2nc(CN)n(C)n2)c(OC)cc1C.
What is the InChIKey of [5-(2,5-dimethoxy-4-methylphenyl)-2-methyl-1,2,4-triazol-3-yl]methanamine?
The InChIKey is AYLMFZVIBIXLMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O2/c1-8-5-11(19-4)9(6-10(8)18-3)13-15-12(7-14)17(2)16-13/h5-6H,7,14H2,1-4H3.
What are the key properties of [5-(2,5-dimethoxy-4-methylphenyl)-2-methyl-1,2,4-triazol-3-yl]methanamine?
[5-(2,5-dimethoxy-4-methylphenyl)-2-methyl-1,2,4-triazol-3-yl]methanamine has a molecular weight of 262.31 g/mol, XLogP of 1.27, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(2,5-dimethoxy-4-methylphenyl)-2-methyl-1,2,4-triazol-3-yl]methanamine is sourced from PubChem (CID 82485568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).