1-(4-methoxyphenyl)-3-methylsulfanyl-1,2,4-triazole

C10H11N3OS — CID 13019898

IUPAC1-(4-methoxyphenyl)-3-methylsulfanyl-1,2,4-triazole
SMILESCOc1ccc(-n2cnc(SC)n2)cc1
InChIInChI=1S/C10H11N3OS/c1-14-9-5-3-8(4-6-9)13-7-11-10(12-13)15-2/h3-7H,1-2H3
InChIKeyNFWYRGFLNREGJY-UHFFFAOYSA-N
MW221.28 g/mol
LogP2.00
Rot. Bonds3

About 1-(4-methoxyphenyl)-3-methylsulfanyl-1,2,4-triazole

1-(4-methoxyphenyl)-3-methylsulfanyl-1,2,4-triazole (PubChem CID 13019898) has the molecular formula C10H11N3OS and a molecular weight of 221.28 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)-3-methylsulfanyl-1,2,4-triazole.

Molecular Properties

Compound Name1-(4-methoxyphenyl)-3-methylsulfanyl-1,2,4-triazole
PubChem CID13019898
Molecular FormulaC10H11N3OS
Molecular Weight221.28 g/mol
Exact Mass221.06
IUPAC Name1-(4-methoxyphenyl)-3-methylsulfanyl-1,2,4-triazole
SMILESCOc1ccc(-n2cnc(SC)n2)cc1
InChIInChI=1S/C10H11N3OS/c1-14-9-5-3-8(4-6-9)13-7-11-10(12-13)15-2/h3-7H,1-2H3
InChIKeyNFWYRGFLNREGJY-UHFFFAOYSA-N
XLogP2.00
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.28
LogP ≤ 52.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4-methoxyphenyl)-4-[4-(3-methylsulfanyl-1,2,4-triazol-1-yl)phenyl]piperazine
CID 12877034
1-[4-(4-methoxyphenyl)piperazin-1-yl]-2-[(1-phenyl-1,2,4-triazol-3-yl)sulfanyl]ethanone
CID 30405484
1-(4-methoxyphenyl)-5-methylsulfanylpyrazol-3-amine
CID 83872098
3-bromo-1-(4-methoxyphenyl)pyrazole
CID 84707783
4-(bromomethyl)-1-(4-methoxyphenyl)-3-methylpyrazole
CID 84617727
1-(4-methylsulfanylphenyl)-1,2,4-triazol-3-amine
CID 130923350
[1-(4-methoxyphenyl)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazol-4-yl]-trimethylsilane
CID 24741791
4-(4-methoxyphenyl)-3-methyl-5-methylsulfanyl-1,2,4-triazole;hydrochloride
CID 23460909
4-(4-methoxyphenyl)-3-methyl-1,2,4-triazole
CID 13019909
1-[2-(4-methoxyphenoxy)ethyl]-4,5-dimethylimidazole
CID 115624859
ethane;1-(4-methoxyphenyl)-4-methyltriazole
CID 143999618
6-fluoro-5-methoxy-2-(4-methoxyphenyl)indazole
CID 176556581

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)-3-methylsulfanyl-1,2,4-triazole?
The IUPAC name of 1-(4-methoxyphenyl)-3-methylsulfanyl-1,2,4-triazole (CID 13019898) is 1-(4-methoxyphenyl)-3-methylsulfanyl-1,2,4-triazole.
What is the SMILES notation for 1-(4-methoxyphenyl)-3-methylsulfanyl-1,2,4-triazole?
The canonical SMILES for 1-(4-methoxyphenyl)-3-methylsulfanyl-1,2,4-triazole is COc1ccc(-n2cnc(SC)n2)cc1.
What is the InChIKey of 1-(4-methoxyphenyl)-3-methylsulfanyl-1,2,4-triazole?
The InChIKey is NFWYRGFLNREGJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3OS/c1-14-9-5-3-8(4-6-9)13-7-11-10(12-13)15-2/h3-7H,1-2H3.
What are the key properties of 1-(4-methoxyphenyl)-3-methylsulfanyl-1,2,4-triazole?
1-(4-methoxyphenyl)-3-methylsulfanyl-1,2,4-triazole has a molecular weight of 221.28 g/mol, XLogP of 2.00, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenyl)-3-methylsulfanyl-1,2,4-triazole is sourced from PubChem (CID 13019898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).