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

C24H23N3O2 — CID 1142987

IUPAC3-(4-ethoxyphenyl)-4-(4-methoxyphenyl)-5-(4-methylphenyl)-1,2,4-triazole
SMILESCCOc1ccc(-c2nnc(-c3ccc(C)cc3)n2-c2ccc(OC)cc2)cc1
InChIInChI=1S/C24H23N3O2/c1-4-29-22-13-9-19(10-14-22)24-26-25-23(18-7-5-17(2)6-8-18)27(24)20-11-15-21(28-3)16-12-20/h5-16H,4H2,1-3H3
InChIKeyFQOOPAYKBZHOOX-UHFFFAOYSA-N
MW385.47 g/mol
LogP5.32
Rot. Bonds6

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

3-(4-ethoxyphenyl)-4-(4-methoxyphenyl)-5-(4-methylphenyl)-1,2,4-triazole (PubChem CID 1142987) has the molecular formula C24H23N3O2 and a molecular weight of 385.47 g/mol. Its IUPAC name is 3-(4-ethoxyphenyl)-4-(4-methoxyphenyl)-5-(4-methylphenyl)-1,2,4-triazole.

Molecular Properties

Compound Name3-(4-ethoxyphenyl)-4-(4-methoxyphenyl)-5-(4-methylphenyl)-1,2,4-triazole
PubChem CID1142987
Molecular FormulaC24H23N3O2
Molecular Weight385.47 g/mol
Exact Mass385.18
IUPAC Name3-(4-ethoxyphenyl)-4-(4-methoxyphenyl)-5-(4-methylphenyl)-1,2,4-triazole
SMILESCCOc1ccc(-c2nnc(-c3ccc(C)cc3)n2-c2ccc(OC)cc2)cc1
InChIInChI=1S/C24H23N3O2/c1-4-29-22-13-9-19(10-14-22)24-26-25-23(18-7-5-17(2)6-8-18)27(24)20-11-15-21(28-3)16-12-20/h5-16H,4H2,1-3H3
InChIKeyFQOOPAYKBZHOOX-UHFFFAOYSA-N
XLogP5.32
TPSA49.17 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500385.47
LogP ≤ 55.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-(4-ethoxyphenyl)-3-(4-methoxyphenyl)-5-methylsulfanyl-1,2,4-triazole
CID 7813991
3-(4-methoxyphenyl)-4-(4-methylphenyl)-5-phenyl-1,2,4-triazole
CID 102231682
1-(4-ethoxyphenyl)-2-[[5-(4-methoxyphenyl)-4-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]ethanone
CID 1339986
3-(4-ethoxyphenyl)-4-(4-methoxyphenyl)-1H-1,2,4-triazole-5-thione
CID 5202512
3-(4-methoxyphenyl)-5-[2-(4-methylphenoxy)ethylsulfanyl]-4-(4-methylphenyl)-1,2,4-triazole
CID 4679841
methyl (2R)-2-[[4-(4-ethoxyphenyl)-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]propanoate
CID 7814008
N-(4-ethoxyphenyl)-2-[[4-(4-ethoxyphenyl)-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 5100626
4-[[4-(4-ethoxyphenyl)-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-3,5-dimethyl-1,2-oxazole
CID 30103459
4-(4-methoxyphenyl)-3-[2-(4-methylphenoxy)ethylsulfanyl]-5-phenyl-1,2,4-triazole
CID 2193973
N-carbamoyl-2-[[4-(4-ethoxyphenyl)-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]propanamide
CID 42977053
3-[5-(4-ethoxyphenyl)-4-(4-fluorophenyl)-1,2,4-triazol-3-yl]pyridine
CID 3586475
(3S)-3-[[4-(4-ethoxyphenyl)-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]oxolan-2-one
CID 2520788

Frequently Asked Questions

What is the IUPAC name of 3-(4-ethoxyphenyl)-4-(4-methoxyphenyl)-5-(4-methylphenyl)-1,2,4-triazole?
The IUPAC name of 3-(4-ethoxyphenyl)-4-(4-methoxyphenyl)-5-(4-methylphenyl)-1,2,4-triazole (CID 1142987) is 3-(4-ethoxyphenyl)-4-(4-methoxyphenyl)-5-(4-methylphenyl)-1,2,4-triazole.
What is the SMILES notation for 3-(4-ethoxyphenyl)-4-(4-methoxyphenyl)-5-(4-methylphenyl)-1,2,4-triazole?
The canonical SMILES for 3-(4-ethoxyphenyl)-4-(4-methoxyphenyl)-5-(4-methylphenyl)-1,2,4-triazole is CCOc1ccc(-c2nnc(-c3ccc(C)cc3)n2-c2ccc(OC)cc2)cc1.
What is the InChIKey of 3-(4-ethoxyphenyl)-4-(4-methoxyphenyl)-5-(4-methylphenyl)-1,2,4-triazole?
The InChIKey is FQOOPAYKBZHOOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N3O2/c1-4-29-22-13-9-19(10-14-22)24-26-25-23(18-7-5-17(2)6-8-18)27(24)20-11-15-21(28-3)16-12-20/h5-16H,4H2,1-3H3.
What are the key properties of 3-(4-ethoxyphenyl)-4-(4-methoxyphenyl)-5-(4-methylphenyl)-1,2,4-triazole?
3-(4-ethoxyphenyl)-4-(4-methoxyphenyl)-5-(4-methylphenyl)-1,2,4-triazole has a molecular weight of 385.47 g/mol, XLogP of 5.32, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-ethoxyphenyl)-4-(4-methoxyphenyl)-5-(4-methylphenyl)-1,2,4-triazole is sourced from PubChem (CID 1142987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).