3-(3,4-dimethylphenyl)-5-[2-(methoxymethyl)phenyl]-1H-1,2,4-triazole

C18H19N3O — CID 20715188

IUPAC3-(3,4-dimethylphenyl)-5-[2-(methoxymethyl)phenyl]-1H-1,2,4-triazole
SMILESCOCc1ccccc1-c1nc(-c2ccc(C)c(C)c2)n[nH]1
InChIInChI=1S/C18H19N3O/c1-12-8-9-14(10-13(12)2)17-19-18(21-20-17)16-7-5-4-6-15(16)11-22-3/h4-10H,11H2,1-3H3,(H,19,20,21)
InChIKeyFLHQXTBFQDTSTA-UHFFFAOYSA-N
MW293.37 g/mol
LogP3.90
Rot. Bonds4

About 3-(3,4-dimethylphenyl)-5-[2-(methoxymethyl)phenyl]-1H-1,2,4-triazole

3-(3,4-dimethylphenyl)-5-[2-(methoxymethyl)phenyl]-1H-1,2,4-triazole (PubChem CID 20715188) has the molecular formula C18H19N3O and a molecular weight of 293.37 g/mol. Its IUPAC name is 3-(3,4-dimethylphenyl)-5-[2-(methoxymethyl)phenyl]-1H-1,2,4-triazole.

Molecular Properties

Compound Name3-(3,4-dimethylphenyl)-5-[2-(methoxymethyl)phenyl]-1H-1,2,4-triazole
PubChem CID20715188
Molecular FormulaC18H19N3O
Molecular Weight293.37 g/mol
Exact Mass293.15
IUPAC Name3-(3,4-dimethylphenyl)-5-[2-(methoxymethyl)phenyl]-1H-1,2,4-triazole
SMILESCOCc1ccccc1-c1nc(-c2ccc(C)c(C)c2)n[nH]1
InChIInChI=1S/C18H19N3O/c1-12-8-9-14(10-13(12)2)17-19-18(21-20-17)16-7-5-4-6-15(16)11-22-3/h4-10H,11H2,1-3H3,(H,19,20,21)
InChIKeyFLHQXTBFQDTSTA-UHFFFAOYSA-N
XLogP3.90
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(3,4-dimethylphenyl)-5-thiophen-2-yl-1H-1,2,4-triazole
CID 62732820
[2-[3-(3-methoxyphenyl)-1H-1,2,4-triazol-5-yl]phenyl]methyl acetate
CID 14772197
N-methyl-2-[2-(3-phenyl-1H-1,2,4-triazol-5-yl)phenyl]ethanamine
CID 104548872
5-(3-ethyl-2-methylphenyl)-3-phenyl-1H-1,2,4-triazole
CID 67608486
[2-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]phenyl]methanamine
CID 20983796
5-(2-chlorophenyl)-3-(4-methylphenyl)-1H-1,2,4-triazole
CID 4730439
2-[3-(3,4-dimethoxyphenyl)-1H-1,2,4-triazol-5-yl]-N-(pyridin-4-ylmethyl)aniline
CID 10452797
1-fluoro-4-[2-(methoxymethyl)phenyl]benzene
CID 59165552
5-bromo-2-(3,4-dimethylphenyl)-6-(methoxymethyl)-N-methylpyrimidin-4-amine
CID 66297577
3-(4-methoxy-3-methylphenyl)-5-methyl-1H-1,2,4-triazole
CID 50962372
5-(4-methoxyphenyl)-3-[3-[5-(4-methoxyphenyl)-1H-1,2,4-triazol-3-yl]phenyl]-1H-1,2,4-triazole
CID 118529375
2-methyl-5-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)aniline
CID 66487228

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dimethylphenyl)-5-[2-(methoxymethyl)phenyl]-1H-1,2,4-triazole?
The IUPAC name of 3-(3,4-dimethylphenyl)-5-[2-(methoxymethyl)phenyl]-1H-1,2,4-triazole (CID 20715188) is 3-(3,4-dimethylphenyl)-5-[2-(methoxymethyl)phenyl]-1H-1,2,4-triazole.
What is the SMILES notation for 3-(3,4-dimethylphenyl)-5-[2-(methoxymethyl)phenyl]-1H-1,2,4-triazole?
The canonical SMILES for 3-(3,4-dimethylphenyl)-5-[2-(methoxymethyl)phenyl]-1H-1,2,4-triazole is COCc1ccccc1-c1nc(-c2ccc(C)c(C)c2)n[nH]1.
What is the InChIKey of 3-(3,4-dimethylphenyl)-5-[2-(methoxymethyl)phenyl]-1H-1,2,4-triazole?
The InChIKey is FLHQXTBFQDTSTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O/c1-12-8-9-14(10-13(12)2)17-19-18(21-20-17)16-7-5-4-6-15(16)11-22-3/h4-10H,11H2,1-3H3,(H,19,20,21).
What are the key properties of 3-(3,4-dimethylphenyl)-5-[2-(methoxymethyl)phenyl]-1H-1,2,4-triazole?
3-(3,4-dimethylphenyl)-5-[2-(methoxymethyl)phenyl]-1H-1,2,4-triazole has a molecular weight of 293.37 g/mol, XLogP of 3.90, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dimethylphenyl)-5-[2-(methoxymethyl)phenyl]-1H-1,2,4-triazole is sourced from PubChem (CID 20715188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).