2-[(7-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)methyl]thiolane 1,1-dioxide

C12H19N3O2S — CID 117156702

IUPAC2-[(7-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)methyl]thiolane 1,1-dioxide
SMILESCC1CCn2nc(CC3CCCS3(=O)=O)nc2C1
InChIInChI=1S/C12H19N3O2S/c1-9-4-5-15-12(7-9)13-11(14-15)8-10-3-2-6-18(10,16)17/h9-10H,2-8H2,1H3
InChIKeyBHIJSEUPUYRXMM-UHFFFAOYSA-N
MW269.37 g/mol
LogP0.98
Rot. Bonds2

About 2-[(7-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)methyl]thiolane 1,1-dioxide

2-[(7-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)methyl]thiolane 1,1-dioxide (PubChem CID 117156702) has the molecular formula C12H19N3O2S and a molecular weight of 269.37 g/mol. Its IUPAC name is 2-[(7-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)methyl]thiolane 1,1-dioxide.

Molecular Properties

Compound Name2-[(7-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)methyl]thiolane 1,1-dioxide
PubChem CID117156702
Molecular FormulaC12H19N3O2S
Molecular Weight269.37 g/mol
Exact Mass269.12
IUPAC Name2-[(7-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)methyl]thiolane 1,1-dioxide
SMILESCC1CCn2nc(CC3CCCS3(=O)=O)nc2C1
InChIInChI=1S/C12H19N3O2S/c1-9-4-5-15-12(7-9)13-11(14-15)8-10-3-2-6-18(10,16)17/h9-10H,2-8H2,1H3
InChIKeyBHIJSEUPUYRXMM-UHFFFAOYSA-N
XLogP0.98
TPSA64.85 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.37
LogP ≤ 50.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-[(7-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)methyl]thiolane 1,1-dioxide with MolForge

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Related Compounds

2-[(7-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)methyl]thiane 1,1-dioxide
CID 117156744
7-methyl-2-(oxan-4-ylmethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine
CID 117156529
2-[(1,1-dioxothian-2-yl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-ol
CID 117154191
2-(2,2-dimethylpropyl)-7-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine
CID 117157005
2-[(7-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)methyl]thiolane 1,1-dioxide
CID 117151384
N,N-dimethyl-2-(7-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)ethanamine
CID 117157081
[2-[(1,1-dioxothian-2-yl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]methanol
CID 117153552
7-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-2-carbaldehyde
CID 83873319
7-methyl-2-(1-methylpyrrolidin-2-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine
CID 117156634
4-[(7-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)methyl]aniline
CID 83966787
7-methyl-2-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine
CID 117157012
3-[(1,1-dioxothiolan-2-yl)methyl]-1,2,4-oxadiazole-5-carboxylic acid
CID 115081735

Frequently Asked Questions

What is the IUPAC name of 2-[(7-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)methyl]thiolane 1,1-dioxide?
The IUPAC name of 2-[(7-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)methyl]thiolane 1,1-dioxide (CID 117156702) is 2-[(7-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)methyl]thiolane 1,1-dioxide.
What is the SMILES notation for 2-[(7-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)methyl]thiolane 1,1-dioxide?
The canonical SMILES for 2-[(7-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)methyl]thiolane 1,1-dioxide is CC1CCn2nc(CC3CCCS3(=O)=O)nc2C1.
What is the InChIKey of 2-[(7-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)methyl]thiolane 1,1-dioxide?
The InChIKey is BHIJSEUPUYRXMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2S/c1-9-4-5-15-12(7-9)13-11(14-15)8-10-3-2-6-18(10,16)17/h9-10H,2-8H2,1H3.
What are the key properties of 2-[(7-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)methyl]thiolane 1,1-dioxide?
2-[(7-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)methyl]thiolane 1,1-dioxide has a molecular weight of 269.37 g/mol, XLogP of 0.98, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(7-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)methyl]thiolane 1,1-dioxide is sourced from PubChem (CID 117156702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).