2-(6-bromo-[1,2,4]triazolo[4,3-a]pyridin-3-yl)thiolane 1,1-dioxide

C10H10BrN3O2S — CID 117139069

IUPAC2-(6-bromo-[1,2,4]triazolo[4,3-a]pyridin-3-yl)thiolane 1,1-dioxide
SMILESO=S1(=O)CCCC1c1nnc2ccc(Br)cn12
InChIInChI=1S/C10H10BrN3O2S/c11-7-3-4-9-12-13-10(14(9)6-7)8-2-1-5-17(8,15)16/h3-4,6,8H,1-2,5H2
InChIKeyNEJCPLFHOIEACF-UHFFFAOYSA-N
MW316.18 g/mol
LogP1.74
Rot. Bonds1

About 2-(6-bromo-[1,2,4]triazolo[4,3-a]pyridin-3-yl)thiolane 1,1-dioxide

2-(6-bromo-[1,2,4]triazolo[4,3-a]pyridin-3-yl)thiolane 1,1-dioxide (PubChem CID 117139069) has the molecular formula C10H10BrN3O2S and a molecular weight of 316.18 g/mol. Its IUPAC name is 2-(6-bromo-[1,2,4]triazolo[4,3-a]pyridin-3-yl)thiolane 1,1-dioxide.

Molecular Properties

Compound Name2-(6-bromo-[1,2,4]triazolo[4,3-a]pyridin-3-yl)thiolane 1,1-dioxide
PubChem CID117139069
Molecular FormulaC10H10BrN3O2S
Molecular Weight316.18 g/mol
Exact Mass314.97
IUPAC Name2-(6-bromo-[1,2,4]triazolo[4,3-a]pyridin-3-yl)thiolane 1,1-dioxide
SMILESO=S1(=O)CCCC1c1nnc2ccc(Br)cn12
InChIInChI=1S/C10H10BrN3O2S/c11-7-3-4-9-12-13-10(14(9)6-7)8-2-1-5-17(8,15)16/h3-4,6,8H,1-2,5H2
InChIKeyNEJCPLFHOIEACF-UHFFFAOYSA-N
XLogP1.74
TPSA64.33 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.18
LogP ≤ 51.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(5-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)thiolane 1,1-dioxide
CID 117141535
6-bromo-3-(oxolan-2-yl)-[1,2,4]triazolo[4,3-a]pyridine
CID 117139057
6-bromo-3-(oxan-4-yl)-[1,2,4]triazolo[4,3-a]pyridine
CID 66570785
4-(6-bromo-[1,2,4]triazolo[4,3-a]pyridin-3-yl)cyclohexan-1-amine
CID 65349561
6-bromo-3-(oxan-2-yl)-[1,2,4]triazolo[4,3-a]pyridine
CID 117139131
2-(6-bromo-[1,2,4]triazolo[4,3-a]pyridin-3-yl)cyclopentane-1-carboxylic acid
CID 103980174
3-(1,1-dioxothian-2-yl)-[1,2,4]triazolo[4,3-a]pyridin-7-amine
CID 117144113
6-bromo-3-(thiolan-3-yl)-[1,2,4]triazolo[4,3-a]pyridine
CID 117138737
3-(6-bromo-[1,2,4]triazolo[4,3-a]pyridin-3-yl)cyclohexan-1-amine
CID 65348038
3-(azepan-2-yl)-6-bromo-[1,2,4]triazolo[4,3-a]pyridine
CID 65348181
N-[(6-bromo-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methyl]-1,1-dioxothiolan-3-amine
CID 65347892
2-(8-methoxy-[1,2,4]triazolo[4,3-a]pyridin-3-yl)thiolane 1,1-dioxide
CID 117145429

Frequently Asked Questions

What is the IUPAC name of 2-(6-bromo-[1,2,4]triazolo[4,3-a]pyridin-3-yl)thiolane 1,1-dioxide?
The IUPAC name of 2-(6-bromo-[1,2,4]triazolo[4,3-a]pyridin-3-yl)thiolane 1,1-dioxide (CID 117139069) is 2-(6-bromo-[1,2,4]triazolo[4,3-a]pyridin-3-yl)thiolane 1,1-dioxide.
What is the SMILES notation for 2-(6-bromo-[1,2,4]triazolo[4,3-a]pyridin-3-yl)thiolane 1,1-dioxide?
The canonical SMILES for 2-(6-bromo-[1,2,4]triazolo[4,3-a]pyridin-3-yl)thiolane 1,1-dioxide is O=S1(=O)CCCC1c1nnc2ccc(Br)cn12.
What is the InChIKey of 2-(6-bromo-[1,2,4]triazolo[4,3-a]pyridin-3-yl)thiolane 1,1-dioxide?
The InChIKey is NEJCPLFHOIEACF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrN3O2S/c11-7-3-4-9-12-13-10(14(9)6-7)8-2-1-5-17(8,15)16/h3-4,6,8H,1-2,5H2.
What are the key properties of 2-(6-bromo-[1,2,4]triazolo[4,3-a]pyridin-3-yl)thiolane 1,1-dioxide?
2-(6-bromo-[1,2,4]triazolo[4,3-a]pyridin-3-yl)thiolane 1,1-dioxide has a molecular weight of 316.18 g/mol, XLogP of 1.74, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-bromo-[1,2,4]triazolo[4,3-a]pyridin-3-yl)thiolane 1,1-dioxide is sourced from PubChem (CID 117139069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).