3-ethyl-1-(4-methoxyphenyl)-5-(4-methylphenyl)-1,2,4-triazole

C18H19N3O — CID 142218254

IUPAC3-ethyl-1-(4-methoxyphenyl)-5-(4-methylphenyl)-1,2,4-triazole
SMILESCCc1nc(-c2ccc(C)cc2)n(-c2ccc(OC)cc2)n1
InChIInChI=1S/C18H19N3O/c1-4-17-19-18(14-7-5-13(2)6-8-14)21(20-17)15-9-11-16(22-3)12-10-15/h5-12H,4H2,1-3H3
InChIKeyPIHRKZFGNUDHOJ-UHFFFAOYSA-N
MW293.37 g/mol
LogP3.81
Rot. Bonds4

About 3-ethyl-1-(4-methoxyphenyl)-5-(4-methylphenyl)-1,2,4-triazole

3-ethyl-1-(4-methoxyphenyl)-5-(4-methylphenyl)-1,2,4-triazole (PubChem CID 142218254) has the molecular formula C18H19N3O and a molecular weight of 293.37 g/mol. Its IUPAC name is 3-ethyl-1-(4-methoxyphenyl)-5-(4-methylphenyl)-1,2,4-triazole.

Molecular Properties

Compound Name3-ethyl-1-(4-methoxyphenyl)-5-(4-methylphenyl)-1,2,4-triazole
PubChem CID142218254
Molecular FormulaC18H19N3O
Molecular Weight293.37 g/mol
Exact Mass293.15
IUPAC Name3-ethyl-1-(4-methoxyphenyl)-5-(4-methylphenyl)-1,2,4-triazole
SMILESCCc1nc(-c2ccc(C)cc2)n(-c2ccc(OC)cc2)n1
InChIInChI=1S/C18H19N3O/c1-4-17-19-18(14-7-5-13(2)6-8-14)21(20-17)15-9-11-16(22-3)12-10-15/h5-12H,4H2,1-3H3
InChIKeyPIHRKZFGNUDHOJ-UHFFFAOYSA-N
XLogP3.81
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-ethoxy-1,5-bis(4-methoxyphenyl)-1,2,4-triazole
CID 10268196
1,5-bis(4-methoxyphenyl)-3-methylsulfinyl-1,2,4-triazole
CID 10268992
3-[3-ethyl-5-(4-methoxyphenyl)-1,2,4-triazol-1-yl]-N-[2-(4-methoxyphenyl)ethyl]benzamide
CID 141473849
1-methoxy-4-methylbenzene;propane
CID 142064987
3-methoxy-1-(4-methoxyphenyl)-5-(4-methylphenyl)pyrazole
CID 173202359
[1-(4-methoxyphenyl)-5-(4-methylphenyl)pyrazol-3-yl]methanamine
CID 82072095
3-(4-ethoxyphenyl)-4-(4-methoxyphenyl)-5-(4-methylphenyl)-1,2,4-triazole
CID 1142987
N-[4-[3-methoxy-5-(4-methylphenyl)-1,2,4-triazol-1-yl]phenyl]-2-(4-methoxyphenyl)acetamide
CID 1026844
1-(113C)methoxy-4-methylbenzene
CID 166176950
N,N-diethylethanamine;1-methoxy-4-methylbenzene
CID 90934747
1-(4-methoxyphenyl)-3,5-bis(4-methylphenyl)-4-phenylpyrazole
CID 56589754
3-(4-methoxyphenyl)-4-(4-methylphenyl)-5-phenyl-1,2,4-triazole
CID 102231682

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1-(4-methoxyphenyl)-5-(4-methylphenyl)-1,2,4-triazole?
The IUPAC name of 3-ethyl-1-(4-methoxyphenyl)-5-(4-methylphenyl)-1,2,4-triazole (CID 142218254) is 3-ethyl-1-(4-methoxyphenyl)-5-(4-methylphenyl)-1,2,4-triazole.
What is the SMILES notation for 3-ethyl-1-(4-methoxyphenyl)-5-(4-methylphenyl)-1,2,4-triazole?
The canonical SMILES for 3-ethyl-1-(4-methoxyphenyl)-5-(4-methylphenyl)-1,2,4-triazole is CCc1nc(-c2ccc(C)cc2)n(-c2ccc(OC)cc2)n1.
What is the InChIKey of 3-ethyl-1-(4-methoxyphenyl)-5-(4-methylphenyl)-1,2,4-triazole?
The InChIKey is PIHRKZFGNUDHOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O/c1-4-17-19-18(14-7-5-13(2)6-8-14)21(20-17)15-9-11-16(22-3)12-10-15/h5-12H,4H2,1-3H3.
What are the key properties of 3-ethyl-1-(4-methoxyphenyl)-5-(4-methylphenyl)-1,2,4-triazole?
3-ethyl-1-(4-methoxyphenyl)-5-(4-methylphenyl)-1,2,4-triazole has a molecular weight of 293.37 g/mol, XLogP of 3.81, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1-(4-methoxyphenyl)-5-(4-methylphenyl)-1,2,4-triazole is sourced from PubChem (CID 142218254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).