3-(5-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)thiolane 1,1-dioxide

C10H10BrN3O2S — CID 117131136

IUPAC3-(5-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)thiolane 1,1-dioxide
SMILESO=S1(=O)CCC(c2nc3cccc(Br)n3n2)C1
InChIInChI=1S/C10H10BrN3O2S/c11-8-2-1-3-9-12-10(13-14(8)9)7-4-5-17(15,16)6-7/h1-3,7H,4-6H2
InChIKeyGKXFAEWARDAPNG-UHFFFAOYSA-N
MW316.18 g/mol
LogP1.39
Rot. Bonds1

About 3-(5-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)thiolane 1,1-dioxide

3-(5-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)thiolane 1,1-dioxide (PubChem CID 117131136) has the molecular formula C10H10BrN3O2S and a molecular weight of 316.18 g/mol. Its IUPAC name is 3-(5-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)thiolane 1,1-dioxide.

Molecular Properties

Compound Name3-(5-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)thiolane 1,1-dioxide
PubChem CID117131136
Molecular FormulaC10H10BrN3O2S
Molecular Weight316.18 g/mol
Exact Mass314.97
IUPAC Name3-(5-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)thiolane 1,1-dioxide
SMILESO=S1(=O)CCC(c2nc3cccc(Br)n3n2)C1
InChIInChI=1S/C10H10BrN3O2S/c11-8-2-1-3-9-12-10(13-14(8)9)7-4-5-17(15,16)6-7/h1-3,7H,4-6H2
InChIKeyGKXFAEWARDAPNG-UHFFFAOYSA-N
XLogP1.39
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 ≤ 51.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

2-(1,1-dioxothiolan-3-yl)-[1,2,4]triazolo[1,5-a]pyridin-5-amine
CID 117131133
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-3-yl)-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylic acid
CID 117131700
2-(1,1-dioxothiolan-3-yl)-[1,2,4]triazolo[1,5-a]pyridin-7-amine
CID 117133515
2-(1,1-dioxothiolan-3-yl)imidazo[1,2-a]pyridin-5-amine
CID 117131128
3-[3-(1,1-dioxothiolan-3-yl)-1,2,4-oxadiazol-5-yl]aniline
CID 115335898
4-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)thiane 1,1-dioxide
CID 117133645
3-(1,1-dioxothiolan-3-yl)-[1,2,4]triazolo[4,3-a]pyridin-5-amine
CID 117141245
3-(4,6-dichloropyrimidin-2-yl)thiolane 1,1-dioxide
CID 115336168
2-cyclobutyl-[1,2,4]triazolo[1,5-a]pyridin-5-amine
CID 83866249
2-cyclopentyl-[1,2,4]triazolo[1,5-a]pyridin-5-amine
CID 83866250

Frequently Asked Questions

What is the IUPAC name of 3-(5-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)thiolane 1,1-dioxide?
The IUPAC name of 3-(5-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)thiolane 1,1-dioxide (CID 117131136) is 3-(5-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)thiolane 1,1-dioxide.
What is the SMILES notation for 3-(5-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)thiolane 1,1-dioxide?
The canonical SMILES for 3-(5-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)thiolane 1,1-dioxide is O=S1(=O)CCC(c2nc3cccc(Br)n3n2)C1.
What is the InChIKey of 3-(5-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)thiolane 1,1-dioxide?
The InChIKey is GKXFAEWARDAPNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrN3O2S/c11-8-2-1-3-9-12-10(13-14(8)9)7-4-5-17(15,16)6-7/h1-3,7H,4-6H2.
What are the key properties of 3-(5-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)thiolane 1,1-dioxide?
3-(5-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)thiolane 1,1-dioxide has a molecular weight of 316.18 g/mol, XLogP of 1.39, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)thiolane 1,1-dioxide is sourced from PubChem (CID 117131136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).