4-ethyl-5-(1-methyl-2-oxo-4-pyridinyl)-1,2,4-triazole-3-sulfonyl chloride

C10H11ClN4O3S — CID 114040019

IUPAC4-ethyl-5-(1-methyl-2-oxo-4-pyridinyl)-1,2,4-triazole-3-sulfonyl chloride
SMILESCCn1c(-c2ccn(C)c(=O)c2)nnc1S(=O)(=O)Cl
InChIInChI=1S/C10H11ClN4O3S/c1-3-15-9(12-13-10(15)19(11,17)18)7-4-5-14(2)8(16)6-7/h4-6H,3H2,1-2H3
InChIKeyGDGLHZUHKDCTRQ-UHFFFAOYSA-N
MW302.74 g/mol
LogP0.59
Rot. Bonds3

About 4-ethyl-5-(1-methyl-2-oxo-4-pyridinyl)-1,2,4-triazole-3-sulfonyl chloride

4-ethyl-5-(1-methyl-2-oxo-4-pyridinyl)-1,2,4-triazole-3-sulfonyl chloride (PubChem CID 114040019) has the molecular formula C10H11ClN4O3S and a molecular weight of 302.74 g/mol. Its IUPAC name is 4-ethyl-5-(1-methyl-2-oxo-4-pyridinyl)-1,2,4-triazole-3-sulfonyl chloride.

Molecular Properties

Compound Name4-ethyl-5-(1-methyl-2-oxo-4-pyridinyl)-1,2,4-triazole-3-sulfonyl chloride
PubChem CID114040019
Molecular FormulaC10H11ClN4O3S
Molecular Weight302.74 g/mol
Exact Mass302.02
IUPAC Name4-ethyl-5-(1-methyl-2-oxo-4-pyridinyl)-1,2,4-triazole-3-sulfonyl chloride
SMILESCCn1c(-c2ccn(C)c(=O)c2)nnc1S(=O)(=O)Cl
InChIInChI=1S/C10H11ClN4O3S/c1-3-15-9(12-13-10(15)19(11,17)18)7-4-5-14(2)8(16)6-7/h4-6H,3H2,1-2H3
InChIKeyGDGLHZUHKDCTRQ-UHFFFAOYSA-N
XLogP0.59
TPSA86.85 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.74
LogP ≤ 50.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

4-(5-Methanesulfonyl-4-methyl-4H-[1,2,4]triazol-3-yl)-1H-pyridin-2-one
CID 24851813
4-(4-Methyl-5-methylsulfonyl-1,2,4-triazol-3-yl)-1-(2-trimethylsilylethoxymethyl)pyridin-2-one
CID 24851814
4-(5-Methanesulfonyl-4-methyl-4H-[1,2,4]triazol-3-yl)-1-methyl-1H-pyridin-2-one
CID 24851817
1-Methyl-4-(4-methyl-5-methylsulfanyl-4h-[1,2,4]triazol-3-yl)-1h-pyridin-2-one
CID 24852061
1-methyl-4-(4-methyl-5-methylsulfonyl-1,2,4-triazol-3-yl)-2H-pyridine
CID 141204986
4-(5-Butylsulfanyl-4-methyl-1,2,4-triazol-3-yl)-1-methylpyridin-2-one
CID 156448127
4-(4-Ethyl-1,2,4-triazol-3-yl)-1-methylpyridin-2-one
CID 108107344
1-Methyl-4-(4-propyl-1,2,4-triazol-3-yl)pyridin-2-one
CID 108107346
3-(1-methyl-2-oxo-4-pyridinyl)-1H-1,2,4-triazole-5-sulfonyl chloride
CID 108107381
4-(2-methoxyethyl)-5-(2-oxo-1H-pyridin-4-yl)-1,2,4-triazole-3-sulfonyl chloride
CID 108107382
4-(2-Methoxyethyl)-5-(1-methyl-2-oxo-4-pyridinyl)-1,2,4-triazole-3-sulfonyl chloride
CID 108107383
5-(1-Methyl-2-oxo-4-pyridinyl)-4-propan-2-yl-1,2,4-triazole-3-sulfonyl chloride
CID 108107384

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-5-(1-methyl-2-oxo-4-pyridinyl)-1,2,4-triazole-3-sulfonyl chloride?
The IUPAC name of 4-ethyl-5-(1-methyl-2-oxo-4-pyridinyl)-1,2,4-triazole-3-sulfonyl chloride (CID 114040019) is 4-ethyl-5-(1-methyl-2-oxo-4-pyridinyl)-1,2,4-triazole-3-sulfonyl chloride.
What is the SMILES notation for 4-ethyl-5-(1-methyl-2-oxo-4-pyridinyl)-1,2,4-triazole-3-sulfonyl chloride?
The canonical SMILES for 4-ethyl-5-(1-methyl-2-oxo-4-pyridinyl)-1,2,4-triazole-3-sulfonyl chloride is CCn1c(-c2ccn(C)c(=O)c2)nnc1S(=O)(=O)Cl.
What is the InChIKey of 4-ethyl-5-(1-methyl-2-oxo-4-pyridinyl)-1,2,4-triazole-3-sulfonyl chloride?
The InChIKey is GDGLHZUHKDCTRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClN4O3S/c1-3-15-9(12-13-10(15)19(11,17)18)7-4-5-14(2)8(16)6-7/h4-6H,3H2,1-2H3.
What are the key properties of 4-ethyl-5-(1-methyl-2-oxo-4-pyridinyl)-1,2,4-triazole-3-sulfonyl chloride?
4-ethyl-5-(1-methyl-2-oxo-4-pyridinyl)-1,2,4-triazole-3-sulfonyl chloride has a molecular weight of 302.74 g/mol, XLogP of 0.59, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-5-(1-methyl-2-oxo-4-pyridinyl)-1,2,4-triazole-3-sulfonyl chloride is sourced from PubChem (CID 114040019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).