2-methoxy-4-(4-methyl-5-methylsulfonyl-1,2,4-triazol-3-yl)pyridine

C10H12N4O3S — CID 24851812

IUPAC2-methoxy-4-(4-methyl-5-methylsulfonyl-1,2,4-triazol-3-yl)pyridine
SMILESCOc1cc(-c2nnc(S(C)(=O)=O)n2C)ccn1
InChIInChI=1S/C10H12N4O3S/c1-14-9(12-13-10(14)18(3,15)16)7-4-5-11-8(6-7)17-2/h4-6H,1-3H3
InChIKeyXAKCXLMMOPJCIS-UHFFFAOYSA-N
MW268.30 g/mol
LogP0.29
Rot. Bonds3

About 2-methoxy-4-(4-methyl-5-methylsulfonyl-1,2,4-triazol-3-yl)pyridine

2-methoxy-4-(4-methyl-5-methylsulfonyl-1,2,4-triazol-3-yl)pyridine (PubChem CID 24851812) has the molecular formula C10H12N4O3S and a molecular weight of 268.30 g/mol. Its IUPAC name is 2-methoxy-4-(4-methyl-5-methylsulfonyl-1,2,4-triazol-3-yl)pyridine.

Molecular Properties

Compound Name2-methoxy-4-(4-methyl-5-methylsulfonyl-1,2,4-triazol-3-yl)pyridine
PubChem CID24851812
Molecular FormulaC10H12N4O3S
Molecular Weight268.30 g/mol
Exact Mass268.06
IUPAC Name2-methoxy-4-(4-methyl-5-methylsulfonyl-1,2,4-triazol-3-yl)pyridine
SMILESCOc1cc(-c2nnc(S(C)(=O)=O)n2C)ccn1
InChIInChI=1S/C10H12N4O3S/c1-14-9(12-13-10(14)18(3,15)16)7-4-5-11-8(6-7)17-2/h4-6H,1-3H3
InChIKeyXAKCXLMMOPJCIS-UHFFFAOYSA-N
XLogP0.29
TPSA86.97 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.30
LogP ≤ 50.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-4-(4-methyl-5-methylsulfonyl-1,2,4-triazol-3-yl)pyridine?
The IUPAC name of 2-methoxy-4-(4-methyl-5-methylsulfonyl-1,2,4-triazol-3-yl)pyridine (CID 24851812) is 2-methoxy-4-(4-methyl-5-methylsulfonyl-1,2,4-triazol-3-yl)pyridine.
What is the SMILES notation for 2-methoxy-4-(4-methyl-5-methylsulfonyl-1,2,4-triazol-3-yl)pyridine?
The canonical SMILES for 2-methoxy-4-(4-methyl-5-methylsulfonyl-1,2,4-triazol-3-yl)pyridine is COc1cc(-c2nnc(S(C)(=O)=O)n2C)ccn1.
What is the InChIKey of 2-methoxy-4-(4-methyl-5-methylsulfonyl-1,2,4-triazol-3-yl)pyridine?
The InChIKey is XAKCXLMMOPJCIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4O3S/c1-14-9(12-13-10(14)18(3,15)16)7-4-5-11-8(6-7)17-2/h4-6H,1-3H3.
What are the key properties of 2-methoxy-4-(4-methyl-5-methylsulfonyl-1,2,4-triazol-3-yl)pyridine?
2-methoxy-4-(4-methyl-5-methylsulfonyl-1,2,4-triazol-3-yl)pyridine has a molecular weight of 268.30 g/mol, XLogP of 0.29, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-4-(4-methyl-5-methylsulfonyl-1,2,4-triazol-3-yl)pyridine is sourced from PubChem (CID 24851812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).