[5-(2-methoxy-4,6-dimethylphenyl)-1-methyl-1,2,4-triazol-3-yl]methanamine

C13H18N4O — CID 82479524

IUPAC[5-(2-methoxy-4,6-dimethylphenyl)-1-methyl-1,2,4-triazol-3-yl]methanamine
SMILESCOc1cc(C)cc(C)c1-c1nc(CN)nn1C
InChIInChI=1S/C13H18N4O/c1-8-5-9(2)12(10(6-8)18-4)13-15-11(7-14)16-17(13)3/h5-6H,7,14H2,1-4H3
InChIKeyBPOPJKJZYCDYDV-UHFFFAOYSA-N
MW246.31 g/mol
LogP1.57
Rot. Bonds3

About [5-(2-methoxy-4,6-dimethylphenyl)-1-methyl-1,2,4-triazol-3-yl]methanamine

[5-(2-methoxy-4,6-dimethylphenyl)-1-methyl-1,2,4-triazol-3-yl]methanamine (PubChem CID 82479524) has the molecular formula C13H18N4O and a molecular weight of 246.31 g/mol. Its IUPAC name is [5-(2-methoxy-4,6-dimethylphenyl)-1-methyl-1,2,4-triazol-3-yl]methanamine.

Molecular Properties

Compound Name[5-(2-methoxy-4,6-dimethylphenyl)-1-methyl-1,2,4-triazol-3-yl]methanamine
PubChem CID82479524
Molecular FormulaC13H18N4O
Molecular Weight246.31 g/mol
Exact Mass246.15
IUPAC Name[5-(2-methoxy-4,6-dimethylphenyl)-1-methyl-1,2,4-triazol-3-yl]methanamine
SMILESCOc1cc(C)cc(C)c1-c1nc(CN)nn1C
InChIInChI=1S/C13H18N4O/c1-8-5-9(2)12(10(6-8)18-4)13-15-11(7-14)16-17(13)3/h5-6H,7,14H2,1-4H3
InChIKeyBPOPJKJZYCDYDV-UHFFFAOYSA-N
XLogP1.57
TPSA65.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [5-(2-methoxy-4,6-dimethylphenyl)-1-methyl-1,2,4-triazol-3-yl]methanamine with MolForge

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Related Compounds

2-[1-methyl-5-(2,4,6-trimethylphenyl)-1,2,4-triazol-3-yl]ethanamine
CID 82478690
[4-bromo-5-(2-methoxy-4,6-dimethylphenyl)-1-methylpyrazol-3-yl]methanamine
CID 84605977
[5-(2-methoxyphenyl)-1-methyl-1,2,4-triazol-3-yl]methanamine
CID 82472126
[2-(2-methoxy-4,6-dimethylphenyl)-4-methyl-1,3-thiazol-5-yl]methanamine
CID 116868171
[5-(2-chloro-4-methoxyphenyl)-1-methyl-1,2,4-triazol-3-yl]methanamine
CID 82481633
[5-(3-methoxyphenyl)-1-methyl-1,2,4-triazol-3-yl]methanamine
CID 82472128
N-[3-[5-(aminomethyl)-2-methyl-1,2,4-triazol-3-yl]-4-methoxyphenyl]acetamide
CID 98019158
2-ethyl-6-(2-methoxy-4,6-dimethylphenyl)-N,5-dimethylpyrimidin-4-amine
CID 106681515
5-(2-methoxy-4,6-dimethylphenyl)-1-methylpyrazole-3-carbonitrile
CID 116858674
[2-(2-methoxy-4,6-dimethylphenyl)-1,3-thiazol-4-yl]hydrazine
CID 116892118
3-(2-methoxy-4,6-dimethylphenyl)-N,5,6-trimethylpyrazin-2-amine
CID 106681508
[5-[(5-ethyl-2-methoxyphenyl)methyl]-1-methyl-1,2,4-triazol-3-yl]methanamine
CID 96665644

Frequently Asked Questions

What is the IUPAC name of [5-(2-methoxy-4,6-dimethylphenyl)-1-methyl-1,2,4-triazol-3-yl]methanamine?
The IUPAC name of [5-(2-methoxy-4,6-dimethylphenyl)-1-methyl-1,2,4-triazol-3-yl]methanamine (CID 82479524) is [5-(2-methoxy-4,6-dimethylphenyl)-1-methyl-1,2,4-triazol-3-yl]methanamine.
What is the SMILES notation for [5-(2-methoxy-4,6-dimethylphenyl)-1-methyl-1,2,4-triazol-3-yl]methanamine?
The canonical SMILES for [5-(2-methoxy-4,6-dimethylphenyl)-1-methyl-1,2,4-triazol-3-yl]methanamine is COc1cc(C)cc(C)c1-c1nc(CN)nn1C.
What is the InChIKey of [5-(2-methoxy-4,6-dimethylphenyl)-1-methyl-1,2,4-triazol-3-yl]methanamine?
The InChIKey is BPOPJKJZYCDYDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O/c1-8-5-9(2)12(10(6-8)18-4)13-15-11(7-14)16-17(13)3/h5-6H,7,14H2,1-4H3.
What are the key properties of [5-(2-methoxy-4,6-dimethylphenyl)-1-methyl-1,2,4-triazol-3-yl]methanamine?
[5-(2-methoxy-4,6-dimethylphenyl)-1-methyl-1,2,4-triazol-3-yl]methanamine has a molecular weight of 246.31 g/mol, XLogP of 1.57, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(2-methoxy-4,6-dimethylphenyl)-1-methyl-1,2,4-triazol-3-yl]methanamine is sourced from PubChem (CID 82479524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).