5-[(3,4-dimethylphenyl)methyl]-3-(3-methoxyphenyl)-1H-1,2,4-triazole

C18H19N3O — CID 10357057

IUPAC5-[(3,4-dimethylphenyl)methyl]-3-(3-methoxyphenyl)-1H-1,2,4-triazole
SMILESCOc1cccc(-c2n[nH]c(Cc3ccc(C)c(C)c3)n2)c1
InChIInChI=1S/C18H19N3O/c1-12-7-8-14(9-13(12)2)10-17-19-18(21-20-17)15-5-4-6-16(11-15)22-3/h4-9,11H,10H2,1-3H3,(H,19,20,21)
InChIKeyHMDXVKQTGSLYAW-UHFFFAOYSA-N
MW293.37 g/mol
LogP3.69
Rot. Bonds4

About 5-[(3,4-dimethylphenyl)methyl]-3-(3-methoxyphenyl)-1H-1,2,4-triazole

5-[(3,4-dimethylphenyl)methyl]-3-(3-methoxyphenyl)-1H-1,2,4-triazole (PubChem CID 10357057) has the molecular formula C18H19N3O and a molecular weight of 293.37 g/mol. Its IUPAC name is 5-[(3,4-dimethylphenyl)methyl]-3-(3-methoxyphenyl)-1H-1,2,4-triazole.

Molecular Properties

Compound Name5-[(3,4-dimethylphenyl)methyl]-3-(3-methoxyphenyl)-1H-1,2,4-triazole
PubChem CID10357057
Molecular FormulaC18H19N3O
Molecular Weight293.37 g/mol
Exact Mass293.15
IUPAC Name5-[(3,4-dimethylphenyl)methyl]-3-(3-methoxyphenyl)-1H-1,2,4-triazole
SMILESCOc1cccc(-c2n[nH]c(Cc3ccc(C)c(C)c3)n2)c1
InChIInChI=1S/C18H19N3O/c1-12-7-8-14(9-13(12)2)10-17-19-18(21-20-17)15-5-4-6-16(11-15)22-3/h4-9,11H,10H2,1-3H3,(H,19,20,21)
InChIKeyHMDXVKQTGSLYAW-UHFFFAOYSA-N
XLogP3.69
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 ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-[(3,4-dimethylphenyl)methyl]-3-(3-methoxyphenyl)-1H-1,2,4-triazole?
The IUPAC name of 5-[(3,4-dimethylphenyl)methyl]-3-(3-methoxyphenyl)-1H-1,2,4-triazole (CID 10357057) is 5-[(3,4-dimethylphenyl)methyl]-3-(3-methoxyphenyl)-1H-1,2,4-triazole.
What is the SMILES notation for 5-[(3,4-dimethylphenyl)methyl]-3-(3-methoxyphenyl)-1H-1,2,4-triazole?
The canonical SMILES for 5-[(3,4-dimethylphenyl)methyl]-3-(3-methoxyphenyl)-1H-1,2,4-triazole is COc1cccc(-c2n[nH]c(Cc3ccc(C)c(C)c3)n2)c1.
What is the InChIKey of 5-[(3,4-dimethylphenyl)methyl]-3-(3-methoxyphenyl)-1H-1,2,4-triazole?
The InChIKey is HMDXVKQTGSLYAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O/c1-12-7-8-14(9-13(12)2)10-17-19-18(21-20-17)15-5-4-6-16(11-15)22-3/h4-9,11H,10H2,1-3H3,(H,19,20,21).
What are the key properties of 5-[(3,4-dimethylphenyl)methyl]-3-(3-methoxyphenyl)-1H-1,2,4-triazole?
5-[(3,4-dimethylphenyl)methyl]-3-(3-methoxyphenyl)-1H-1,2,4-triazole has a molecular weight of 293.37 g/mol, XLogP of 3.69, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3,4-dimethylphenyl)methyl]-3-(3-methoxyphenyl)-1H-1,2,4-triazole is sourced from PubChem (CID 10357057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).