4-[(5-methoxy-[1,2,4]triazolo[1,5-a]pyridin-2-yl)methyl]thiane 1,1-dioxide

C13H17N3O3S — CID 117131468

IUPAC4-[(5-methoxy-[1,2,4]triazolo[1,5-a]pyridin-2-yl)methyl]thiane 1,1-dioxide
SMILESCOc1cccc2nc(CC3CCS(=O)(=O)CC3)nn12
InChIInChI=1S/C13H17N3O3S/c1-19-13-4-2-3-12-14-11(15-16(12)13)9-10-5-7-20(17,18)8-6-10/h2-4,10H,5-9H2,1H3
InChIKeyNPRUNPFJOVXBDD-UHFFFAOYSA-N
MW295.36 g/mol
LogP1.11
Rot. Bonds3

About 4-[(5-methoxy-[1,2,4]triazolo[1,5-a]pyridin-2-yl)methyl]thiane 1,1-dioxide

4-[(5-methoxy-[1,2,4]triazolo[1,5-a]pyridin-2-yl)methyl]thiane 1,1-dioxide (PubChem CID 117131468) has the molecular formula C13H17N3O3S and a molecular weight of 295.36 g/mol. Its IUPAC name is 4-[(5-methoxy-[1,2,4]triazolo[1,5-a]pyridin-2-yl)methyl]thiane 1,1-dioxide.

Molecular Properties

Compound Name4-[(5-methoxy-[1,2,4]triazolo[1,5-a]pyridin-2-yl)methyl]thiane 1,1-dioxide
PubChem CID117131468
Molecular FormulaC13H17N3O3S
Molecular Weight295.36 g/mol
Exact Mass295.10
IUPAC Name4-[(5-methoxy-[1,2,4]triazolo[1,5-a]pyridin-2-yl)methyl]thiane 1,1-dioxide
SMILESCOc1cccc2nc(CC3CCS(=O)(=O)CC3)nn12
InChIInChI=1S/C13H17N3O3S/c1-19-13-4-2-3-12-14-11(15-16(12)13)9-10-5-7-20(17,18)8-6-10/h2-4,10H,5-9H2,1H3
InChIKeyNPRUNPFJOVXBDD-UHFFFAOYSA-N
XLogP1.11
TPSA73.56 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.36
LogP ≤ 51.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 4-[(5-methoxy-[1,2,4]triazolo[1,5-a]pyridin-2-yl)methyl]thiane 1,1-dioxide with MolForge

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Related Compounds

2-[(5-methoxy-[1,2,4]triazolo[1,5-a]pyridin-2-yl)methyl]thiane 1,1-dioxide
CID 117132118
3-(5-methoxy-[1,2,4]triazolo[1,5-a]pyridin-2-yl)thiolane 1,1-dioxide
CID 117131081
3-(5-methoxy-[1,2,4]triazolo[1,5-a]pyridin-2-yl)thiane 1,1-dioxide
CID 117131596
2-[(1,1-dioxothian-4-yl)methyl]-[1,2,4]triazolo[1,5-a]pyridin-6-ol
CID 117129230
2-[(1,1-dioxothian-4-yl)methyl]-[1,2,4]triazolo[1,5-a]pyridine-7-carbaldehyde
CID 117133878
3-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]thiolane 1,1-dioxide
CID 117131388
2-(1-ethylpiperidin-2-yl)-5-methoxy-[1,2,4]triazolo[1,5-a]pyridine
CID 117131864
5-methoxy-2-[(1-methylpiperidin-3-yl)methyl]imidazo[1,2-a]pyridine
CID 117132250
2-[(1-ethylpiperidin-4-yl)methyl]-[1,2,4]triazolo[1,5-a]pyridin-5-amine
CID 117131561
2-[(1-methylpiperidin-3-yl)methyl]-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylic acid
CID 117132360
2-[(1-ethylpiperidin-4-yl)methyl]-5-methoxyimidazo[1,2-a]pyridine
CID 117131475
methyl 2-[(1,1-dioxothiolan-3-yl)methyl]imidazo[1,2-a]pyridine-5-carboxylate
CID 117131444

Frequently Asked Questions

What is the IUPAC name of 4-[(5-methoxy-[1,2,4]triazolo[1,5-a]pyridin-2-yl)methyl]thiane 1,1-dioxide?
The IUPAC name of 4-[(5-methoxy-[1,2,4]triazolo[1,5-a]pyridin-2-yl)methyl]thiane 1,1-dioxide (CID 117131468) is 4-[(5-methoxy-[1,2,4]triazolo[1,5-a]pyridin-2-yl)methyl]thiane 1,1-dioxide.
What is the SMILES notation for 4-[(5-methoxy-[1,2,4]triazolo[1,5-a]pyridin-2-yl)methyl]thiane 1,1-dioxide?
The canonical SMILES for 4-[(5-methoxy-[1,2,4]triazolo[1,5-a]pyridin-2-yl)methyl]thiane 1,1-dioxide is COc1cccc2nc(CC3CCS(=O)(=O)CC3)nn12.
What is the InChIKey of 4-[(5-methoxy-[1,2,4]triazolo[1,5-a]pyridin-2-yl)methyl]thiane 1,1-dioxide?
The InChIKey is NPRUNPFJOVXBDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O3S/c1-19-13-4-2-3-12-14-11(15-16(12)13)9-10-5-7-20(17,18)8-6-10/h2-4,10H,5-9H2,1H3.
What are the key properties of 4-[(5-methoxy-[1,2,4]triazolo[1,5-a]pyridin-2-yl)methyl]thiane 1,1-dioxide?
4-[(5-methoxy-[1,2,4]triazolo[1,5-a]pyridin-2-yl)methyl]thiane 1,1-dioxide has a molecular weight of 295.36 g/mol, XLogP of 1.11, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-methoxy-[1,2,4]triazolo[1,5-a]pyridin-2-yl)methyl]thiane 1,1-dioxide is sourced from PubChem (CID 117131468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).