5-methoxy-3-(4-methoxy-3,5-dimethylphenyl)-1-methyl-1,2,4-triazole

C13H17N3O2 — CID 119062453

IUPAC5-methoxy-3-(4-methoxy-3,5-dimethylphenyl)-1-methyl-1,2,4-triazole
SMILESCOc1c(C)cc(-c2nc(OC)n(C)n2)cc1C
InChIInChI=1S/C13H17N3O2/c1-8-6-10(7-9(2)11(8)17-4)12-14-13(18-5)16(3)15-12/h6-7H,1-5H3
InChIKeyFVKLHCSJCQUSAV-UHFFFAOYSA-N
MW247.30 g/mol
LogP2.12
Rot. Bonds3

About 5-methoxy-3-(4-methoxy-3,5-dimethylphenyl)-1-methyl-1,2,4-triazole

5-methoxy-3-(4-methoxy-3,5-dimethylphenyl)-1-methyl-1,2,4-triazole (PubChem CID 119062453) has the molecular formula C13H17N3O2 and a molecular weight of 247.30 g/mol. Its IUPAC name is 5-methoxy-3-(4-methoxy-3,5-dimethylphenyl)-1-methyl-1,2,4-triazole.

Molecular Properties

Compound Name5-methoxy-3-(4-methoxy-3,5-dimethylphenyl)-1-methyl-1,2,4-triazole
PubChem CID119062453
Molecular FormulaC13H17N3O2
Molecular Weight247.30 g/mol
Exact Mass247.13
IUPAC Name5-methoxy-3-(4-methoxy-3,5-dimethylphenyl)-1-methyl-1,2,4-triazole
SMILESCOc1c(C)cc(-c2nc(OC)n(C)n2)cc1C
InChIInChI=1S/C13H17N3O2/c1-8-6-10(7-9(2)11(8)17-4)12-14-13(18-5)16(3)15-12/h6-7H,1-5H3
InChIKeyFVKLHCSJCQUSAV-UHFFFAOYSA-N
XLogP2.12
TPSA49.17 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.30
LogP ≤ 52.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5-(4-methoxy-3,5-dimethylphenyl)-2-methyltetrazole
CID 14981819
5-methoxy-3-[4-(1-methoxyethyl)phenyl]-1-methyl-1,2,4-triazole
CID 119073481
5-methoxy-1-methyl-3-[3-(1-pyrrolidin-1-ylethyl)phenyl]-1,2,4-triazole
CID 121497591
[3-(4-methoxy-3,5-dimethylphenyl)-1,2,4-oxadiazol-5-yl]methanamine
CID 82390048
5-(3-methoxy-4-methylphenyl)-2-methyl-1,2,4-triazol-3-amine
CID 104605127
2-[5-(2-methoxy-3,5-dimethylphenyl)-2-methyl-1,2,4-triazol-3-yl]ethanamine
CID 82484719
1-[5-bromo-4-(4-methoxy-3,5-dimethylphenyl)-1-methylimidazol-2-yl]-N-methylmethanamine
CID 84611682
ethane;2-methoxy-1,3,5-trimethylbenzene
CID 142174927
1-[[4-(5-methoxy-1-methyl-1,2,4-triazol-3-yl)phenyl]methyl]pyrazolo[3,4-d]pyrimidine
CID 154942735
4-methoxy-3,5-dimethylphenol
CID 643378
[2-(4-methoxy-3,5-dimethylphenyl)-1,3-thiazol-4-yl]methanamine
CID 82383295
5-(4-methoxy-3,5-dimethylphenyl)-1,2-oxazole-3-carbonitrile
CID 116858956

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-3-(4-methoxy-3,5-dimethylphenyl)-1-methyl-1,2,4-triazole?
The IUPAC name of 5-methoxy-3-(4-methoxy-3,5-dimethylphenyl)-1-methyl-1,2,4-triazole (CID 119062453) is 5-methoxy-3-(4-methoxy-3,5-dimethylphenyl)-1-methyl-1,2,4-triazole.
What is the SMILES notation for 5-methoxy-3-(4-methoxy-3,5-dimethylphenyl)-1-methyl-1,2,4-triazole?
The canonical SMILES for 5-methoxy-3-(4-methoxy-3,5-dimethylphenyl)-1-methyl-1,2,4-triazole is COc1c(C)cc(-c2nc(OC)n(C)n2)cc1C.
What is the InChIKey of 5-methoxy-3-(4-methoxy-3,5-dimethylphenyl)-1-methyl-1,2,4-triazole?
The InChIKey is FVKLHCSJCQUSAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O2/c1-8-6-10(7-9(2)11(8)17-4)12-14-13(18-5)16(3)15-12/h6-7H,1-5H3.
What are the key properties of 5-methoxy-3-(4-methoxy-3,5-dimethylphenyl)-1-methyl-1,2,4-triazole?
5-methoxy-3-(4-methoxy-3,5-dimethylphenyl)-1-methyl-1,2,4-triazole has a molecular weight of 247.30 g/mol, XLogP of 2.12, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-3-(4-methoxy-3,5-dimethylphenyl)-1-methyl-1,2,4-triazole is sourced from PubChem (CID 119062453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).