5-(2-methoxyphenyl)-3-methylsulfanyl-1H-1,2,4-triazole

C10H11N3OS — CID 849683

IUPAC5-(2-methoxyphenyl)-3-methylsulfanyl-1H-1,2,4-triazole
SMILESCOc1ccccc1-c1nc(SC)n[nH]1
InChIInChI=1S/C10H11N3OS/c1-14-8-6-4-3-5-7(8)9-11-10(15-2)13-12-9/h3-6H,1-2H3,(H,11,12,13)
InChIKeyYBNPGRKGSRALNF-UHFFFAOYSA-N
MW221.29 g/mol
LogP2.20
Rot. Bonds3

About 5-(2-methoxyphenyl)-3-methylsulfanyl-1H-1,2,4-triazole

5-(2-methoxyphenyl)-3-methylsulfanyl-1H-1,2,4-triazole (PubChem CID 849683) has the molecular formula C10H11N3OS and a molecular weight of 221.29 g/mol. Its IUPAC name is 5-(2-methoxyphenyl)-3-methylsulfanyl-1H-1,2,4-triazole.

Molecular Properties

Compound Name5-(2-methoxyphenyl)-3-methylsulfanyl-1H-1,2,4-triazole
PubChem CID849683
Molecular FormulaC10H11N3OS
Molecular Weight221.29 g/mol
Exact Mass221.06
IUPAC Name5-(2-methoxyphenyl)-3-methylsulfanyl-1H-1,2,4-triazole
SMILESCOc1ccccc1-c1nc(SC)n[nH]1
InChIInChI=1S/C10H11N3OS/c1-14-8-6-4-3-5-7(8)9-11-10(15-2)13-12-9/h3-6H,1-2H3,(H,11,12,13)
InChIKeyYBNPGRKGSRALNF-UHFFFAOYSA-N
XLogP2.20
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.29
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(2-methoxyphenyl)-3-methylsulfanyl-1H-1,2,4-triazole?
The IUPAC name of 5-(2-methoxyphenyl)-3-methylsulfanyl-1H-1,2,4-triazole (CID 849683) is 5-(2-methoxyphenyl)-3-methylsulfanyl-1H-1,2,4-triazole.
What is the SMILES notation for 5-(2-methoxyphenyl)-3-methylsulfanyl-1H-1,2,4-triazole?
The canonical SMILES for 5-(2-methoxyphenyl)-3-methylsulfanyl-1H-1,2,4-triazole is COc1ccccc1-c1nc(SC)n[nH]1.
What is the InChIKey of 5-(2-methoxyphenyl)-3-methylsulfanyl-1H-1,2,4-triazole?
The InChIKey is YBNPGRKGSRALNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3OS/c1-14-8-6-4-3-5-7(8)9-11-10(15-2)13-12-9/h3-6H,1-2H3,(H,11,12,13).
What are the key properties of 5-(2-methoxyphenyl)-3-methylsulfanyl-1H-1,2,4-triazole?
5-(2-methoxyphenyl)-3-methylsulfanyl-1H-1,2,4-triazole has a molecular weight of 221.29 g/mol, XLogP of 2.20, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methoxyphenyl)-3-methylsulfanyl-1H-1,2,4-triazole is sourced from PubChem (CID 849683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).