2-butyl-8-morpholin-4-ylsulfonyl-[1,2,4]triazolo[4,3-a]pyridin-3-one

C14H20N4O4S — CID 53135194

IUPAC2-butyl-8-morpholin-4-ylsulfonyl-[1,2,4]triazolo[4,3-a]pyridin-3-one
SMILESCCCCn1nc2c(S(=O)(=O)N3CCOCC3)cccn2c1=O
InChIInChI=1S/C14H20N4O4S/c1-2-3-7-18-14(19)17-6-4-5-12(13(17)15-18)23(20,21)16-8-10-22-11-9-16/h4-6H,2-3,7-11H2,1H3
InChIKeyDKOYLSOAOLTWMT-UHFFFAOYSA-N
MW340.41 g/mol
LogP0.32
Rot. Bonds5

About 2-butyl-8-morpholin-4-ylsulfonyl-[1,2,4]triazolo[4,3-a]pyridin-3-one

2-butyl-8-morpholin-4-ylsulfonyl-[1,2,4]triazolo[4,3-a]pyridin-3-one (PubChem CID 53135194) has the molecular formula C14H20N4O4S and a molecular weight of 340.41 g/mol. Its IUPAC name is 2-butyl-8-morpholin-4-ylsulfonyl-[1,2,4]triazolo[4,3-a]pyridin-3-one.

Molecular Properties

Compound Name2-butyl-8-morpholin-4-ylsulfonyl-[1,2,4]triazolo[4,3-a]pyridin-3-one
PubChem CID53135194
Molecular FormulaC14H20N4O4S
Molecular Weight340.41 g/mol
Exact Mass340.12
IUPAC Name2-butyl-8-morpholin-4-ylsulfonyl-[1,2,4]triazolo[4,3-a]pyridin-3-one
SMILESCCCCn1nc2c(S(=O)(=O)N3CCOCC3)cccn2c1=O
InChIInChI=1S/C14H20N4O4S/c1-2-3-7-18-14(19)17-6-4-5-12(13(17)15-18)23(20,21)16-8-10-22-11-9-16/h4-6H,2-3,7-11H2,1H3
InChIKeyDKOYLSOAOLTWMT-UHFFFAOYSA-N
XLogP0.32
TPSA85.91 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.41
LogP ≤ 50.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 2-butyl-8-morpholin-4-ylsulfonyl-[1,2,4]triazolo[4,3-a]pyridin-3-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(2,5-dimethylphenyl)methyl]-8-morpholin-4-ylsulfonyl-[1,2,4]triazolo[4,3-a]pyridin-3-one
CID 53135204
2-[(2-chlorophenyl)methyl]-8-pyrrolidin-1-ylsulfonyl-[1,2,4]triazolo[4,3-a]pyridin-3-one
CID 53135131
8-[4-(4-fluorophenyl)piperazin-1-yl]sulfonyl-2-(2-methylpropyl)-[1,2,4]triazolo[4,3-a]pyridin-3-one
CID 53135220
2-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]-8-pyrrolidin-1-ylsulfonyl-[1,2,4]triazolo[4,3-a]pyridin-3-one
CID 53135127
2-morpholin-4-ylsulfonylphenol
CID 79020270
4-(2-chlorophenyl)sulfonylmorpholine
CID 7938037
2-morpholin-4-ylsulfonylbenzenesulfonamide
CID 43342653
3-(1,4-oxazepan-4-ylsulfonyl)-N-propylpyridin-2-amine
CID 62966790
N-butyl-5-morpholin-4-ylsulfonylpyridin-2-amine
CID 5268046
4-(2-butoxy-4,5-dimethylphenyl)sulfonylmorpholine
CID 27261564
3-methyl-8-morpholin-4-ylsulfonylimidazo[5,1-d][1,2,3,5]tetrazin-4-one
CID 57389185
4-(4-hexylphenyl)sulfonylmorpholine
CID 84557725

Frequently Asked Questions

What is the IUPAC name of 2-butyl-8-morpholin-4-ylsulfonyl-[1,2,4]triazolo[4,3-a]pyridin-3-one?
The IUPAC name of 2-butyl-8-morpholin-4-ylsulfonyl-[1,2,4]triazolo[4,3-a]pyridin-3-one (CID 53135194) is 2-butyl-8-morpholin-4-ylsulfonyl-[1,2,4]triazolo[4,3-a]pyridin-3-one.
What is the SMILES notation for 2-butyl-8-morpholin-4-ylsulfonyl-[1,2,4]triazolo[4,3-a]pyridin-3-one?
The canonical SMILES for 2-butyl-8-morpholin-4-ylsulfonyl-[1,2,4]triazolo[4,3-a]pyridin-3-one is CCCCn1nc2c(S(=O)(=O)N3CCOCC3)cccn2c1=O.
What is the InChIKey of 2-butyl-8-morpholin-4-ylsulfonyl-[1,2,4]triazolo[4,3-a]pyridin-3-one?
The InChIKey is DKOYLSOAOLTWMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O4S/c1-2-3-7-18-14(19)17-6-4-5-12(13(17)15-18)23(20,21)16-8-10-22-11-9-16/h4-6H,2-3,7-11H2,1H3.
What are the key properties of 2-butyl-8-morpholin-4-ylsulfonyl-[1,2,4]triazolo[4,3-a]pyridin-3-one?
2-butyl-8-morpholin-4-ylsulfonyl-[1,2,4]triazolo[4,3-a]pyridin-3-one has a molecular weight of 340.41 g/mol, XLogP of 0.32, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-8-morpholin-4-ylsulfonyl-[1,2,4]triazolo[4,3-a]pyridin-3-one is sourced from PubChem (CID 53135194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).