5-ethoxy-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfonylmethyl]pyridine

C11H14N4O3S — CID 167772446

IUPAC5-ethoxy-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfonylmethyl]pyridine
SMILESCCOc1ccc(CS(=O)(=O)c2n[nH]c(C)n2)nc1
InChIInChI=1S/C11H14N4O3S/c1-3-18-10-5-4-9(12-6-10)7-19(16,17)11-13-8(2)14-15-11/h4-6H,3,7H2,1-2H3,(H,13,14,15)
InChIKeyIWSXMRADOJEUBF-UHFFFAOYSA-N
MW282.33 g/mol
LogP0.88
Rot. Bonds5

About 5-ethoxy-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfonylmethyl]pyridine

5-ethoxy-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfonylmethyl]pyridine (PubChem CID 167772446) has the molecular formula C11H14N4O3S and a molecular weight of 282.33 g/mol. Its IUPAC name is 5-ethoxy-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfonylmethyl]pyridine.

Molecular Properties

Compound Name5-ethoxy-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfonylmethyl]pyridine
PubChem CID167772446
Molecular FormulaC11H14N4O3S
Molecular Weight282.33 g/mol
Exact Mass282.08
IUPAC Name5-ethoxy-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfonylmethyl]pyridine
SMILESCCOc1ccc(CS(=O)(=O)c2n[nH]c(C)n2)nc1
InChIInChI=1S/C11H14N4O3S/c1-3-18-10-5-4-9(12-6-10)7-19(16,17)11-13-8(2)14-15-11/h4-6H,3,7H2,1-2H3,(H,13,14,15)
InChIKeyIWSXMRADOJEUBF-UHFFFAOYSA-N
XLogP0.88
TPSA97.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.33
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-ethoxy-2-methylpyridine
CID 573198
4-[(4-ethoxyphenyl)sulfonylmethyl]-2-methyl-1,3-thiazole
CID 47822854
N-[(5-ethoxy-2-pyridinyl)methyl]ethanamine
CID 79775704
6-(aminomethyl)-N-(4-ethoxyphenyl)pyridine-3-sulfonamide
CID 114613079
2-[(5-ethoxy-2-pyridinyl)methyl]isoindole-1,3-dione
CID 71859722
1-ethoxy-4-ethylsulfonylbenzene
CID 12846221
N-[(5-ethoxy-2-pyridinyl)methyl]cyclopropanamine
CID 79782890
5-(4-ethoxyphenyl)-2-methyl-1H-imidazole
CID 116883826
(5-ethoxy-2-pyridinyl) trifluoromethanesulfonate
CID 139986399
N,N-dimethyl-2-[[6-(methylaminomethyl)-3-pyridinyl]oxy]acetamide
CID 79776398
5-(4-ethoxyphenyl)sulfonylpyrimidin-2-amine
CID 95483159
5-ethoxy-2-(trifluoromethyl)pyridine
CID 126758289

Frequently Asked Questions

What is the IUPAC name of 5-ethoxy-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfonylmethyl]pyridine?
The IUPAC name of 5-ethoxy-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfonylmethyl]pyridine (CID 167772446) is 5-ethoxy-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfonylmethyl]pyridine.
What is the SMILES notation for 5-ethoxy-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfonylmethyl]pyridine?
The canonical SMILES for 5-ethoxy-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfonylmethyl]pyridine is CCOc1ccc(CS(=O)(=O)c2n[nH]c(C)n2)nc1.
What is the InChIKey of 5-ethoxy-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfonylmethyl]pyridine?
The InChIKey is IWSXMRADOJEUBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O3S/c1-3-18-10-5-4-9(12-6-10)7-19(16,17)11-13-8(2)14-15-11/h4-6H,3,7H2,1-2H3,(H,13,14,15).
What are the key properties of 5-ethoxy-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfonylmethyl]pyridine?
5-ethoxy-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfonylmethyl]pyridine has a molecular weight of 282.33 g/mol, XLogP of 0.88, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethoxy-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfonylmethyl]pyridine is sourced from PubChem (CID 167772446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).