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

C18H19N3OS — CID 143503642

IUPAC3-ethyl-5-(2-methoxyphenyl)-4-(2-methylsulfanylphenyl)-1,2,4-triazole
SMILESCCc1nnc(-c2ccccc2OC)n1-c1ccccc1SC
InChIInChI=1S/C18H19N3OS/c1-4-17-19-20-18(13-9-5-7-11-15(13)22-2)21(17)14-10-6-8-12-16(14)23-3/h5-12H,4H2,1-3H3
InChIKeyGMHITNXNHGGKNE-UHFFFAOYSA-N
MW325.44 g/mol
LogP4.23
Rot. Bonds5

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

3-ethyl-5-(2-methoxyphenyl)-4-(2-methylsulfanylphenyl)-1,2,4-triazole (PubChem CID 143503642) has the molecular formula C18H19N3OS and a molecular weight of 325.44 g/mol. Its IUPAC name is 3-ethyl-5-(2-methoxyphenyl)-4-(2-methylsulfanylphenyl)-1,2,4-triazole.

Molecular Properties

Compound Name3-ethyl-5-(2-methoxyphenyl)-4-(2-methylsulfanylphenyl)-1,2,4-triazole
PubChem CID143503642
Molecular FormulaC18H19N3OS
Molecular Weight325.44 g/mol
Exact Mass325.12
IUPAC Name3-ethyl-5-(2-methoxyphenyl)-4-(2-methylsulfanylphenyl)-1,2,4-triazole
SMILESCCc1nnc(-c2ccccc2OC)n1-c1ccccc1SC
InChIInChI=1S/C18H19N3OS/c1-4-17-19-20-18(13-9-5-7-11-15(13)22-2)21(17)14-10-6-8-12-16(14)23-3/h5-12H,4H2,1-3H3
InChIKeyGMHITNXNHGGKNE-UHFFFAOYSA-N
XLogP4.23
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.44
LogP ≤ 54.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-(4-chlorophenyl)-3-(2-methoxyphenyl)-5-methylsulfanyl-1,2,4-triazole
CID 40560058
2-[5-ethylsulfanyl-4-(2-methoxyphenyl)-1,2,4-triazol-3-yl]phenol
CID 864382
3-(2-methoxyphenyl)-5-[(4-methoxyphenyl)methylsulfanyl]-4-(2-methylphenyl)-1,2,4-triazole
CID 42798487
3-(2-methoxyphenyl)-4-(4-methylphenyl)-5-propan-2-ylsulfanyl-1,2,4-triazole
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4-ethyl-3-(2-methoxyphenyl)-5-(2-methylpropylsulfanyl)-1,2,4-triazole
CID 47095919
3-(2-methoxyphenyl)-4-(4-methylphenyl)-5-prop-2-enylsulfanyl-1,2,4-triazole
CID 40649310
1-ethyl-6-methylsulfanyl-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepine
CID 20565768
3-(2-methoxyphenyl)-4-(4-methoxyphenyl)-5-prop-2-enylsulfanyl-1,2,4-triazole
CID 40631143
2-ethyl-5-(2-methoxyphenyl)-3-propan-2-ylimidazol-4-amine
CID 62220440
5-ethyl-1-(2-methoxyphenyl)tetrazole
CID 23117976
3-ethyl-5-[1-[[5-(2-methoxyphenyl)-4-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]ethyl]-1,2,4-oxadiazole
CID 134052353
N,4-diethyl-5-(2-methoxyphenyl)-1,2,4-triazol-3-amine
CID 112596812

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-5-(2-methoxyphenyl)-4-(2-methylsulfanylphenyl)-1,2,4-triazole?
The IUPAC name of 3-ethyl-5-(2-methoxyphenyl)-4-(2-methylsulfanylphenyl)-1,2,4-triazole (CID 143503642) is 3-ethyl-5-(2-methoxyphenyl)-4-(2-methylsulfanylphenyl)-1,2,4-triazole.
What is the SMILES notation for 3-ethyl-5-(2-methoxyphenyl)-4-(2-methylsulfanylphenyl)-1,2,4-triazole?
The canonical SMILES for 3-ethyl-5-(2-methoxyphenyl)-4-(2-methylsulfanylphenyl)-1,2,4-triazole is CCc1nnc(-c2ccccc2OC)n1-c1ccccc1SC.
What is the InChIKey of 3-ethyl-5-(2-methoxyphenyl)-4-(2-methylsulfanylphenyl)-1,2,4-triazole?
The InChIKey is GMHITNXNHGGKNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3OS/c1-4-17-19-20-18(13-9-5-7-11-15(13)22-2)21(17)14-10-6-8-12-16(14)23-3/h5-12H,4H2,1-3H3.
What are the key properties of 3-ethyl-5-(2-methoxyphenyl)-4-(2-methylsulfanylphenyl)-1,2,4-triazole?
3-ethyl-5-(2-methoxyphenyl)-4-(2-methylsulfanylphenyl)-1,2,4-triazole has a molecular weight of 325.44 g/mol, XLogP of 4.23, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-5-(2-methoxyphenyl)-4-(2-methylsulfanylphenyl)-1,2,4-triazole is sourced from PubChem (CID 143503642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).