3-(1,1-dioxothiolan-3-yl)-[1,2,4]triazolo[4,3-a]pyridin-7-amine

C10H12N4O2S — CID 117143756

IUPAC3-(1,1-dioxothiolan-3-yl)-[1,2,4]triazolo[4,3-a]pyridin-7-amine
SMILESNc1ccn2c(C3CCS(=O)(=O)C3)nnc2c1
InChIInChI=1S/C10H12N4O2S/c11-8-1-3-14-9(5-8)12-13-10(14)7-2-4-17(15,16)6-7/h1,3,5,7H,2,4,6,11H2
InChIKeyLLMTYTGCJUHLFE-UHFFFAOYSA-N
MW252.30 g/mol
LogP0.21
Rot. Bonds1

About 3-(1,1-dioxothiolan-3-yl)-[1,2,4]triazolo[4,3-a]pyridin-7-amine

3-(1,1-dioxothiolan-3-yl)-[1,2,4]triazolo[4,3-a]pyridin-7-amine (PubChem CID 117143756) has the molecular formula C10H12N4O2S and a molecular weight of 252.30 g/mol. Its IUPAC name is 3-(1,1-dioxothiolan-3-yl)-[1,2,4]triazolo[4,3-a]pyridin-7-amine.

Molecular Properties

Compound Name3-(1,1-dioxothiolan-3-yl)-[1,2,4]triazolo[4,3-a]pyridin-7-amine
PubChem CID117143756
Molecular FormulaC10H12N4O2S
Molecular Weight252.30 g/mol
Exact Mass252.07
IUPAC Name3-(1,1-dioxothiolan-3-yl)-[1,2,4]triazolo[4,3-a]pyridin-7-amine
SMILESNc1ccn2c(C3CCS(=O)(=O)C3)nnc2c1
InChIInChI=1S/C10H12N4O2S/c11-8-1-3-14-9(5-8)12-13-10(14)7-2-4-17(15,16)6-7/h1,3,5,7H,2,4,6,11H2
InChIKeyLLMTYTGCJUHLFE-UHFFFAOYSA-N
XLogP0.21
TPSA90.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.30
LogP ≤ 50.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3-(1,1-dioxothiolan-3-yl)-[1,2,4]triazolo[4,3-a]pyridin-7-amine with MolForge

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Related Compounds

3-(1,1-dioxothian-2-yl)-[1,2,4]triazolo[4,3-a]pyridin-7-amine
CID 117144113
3-piperidin-4-yl-[1,2,4]triazolo[4,3-a]pyridin-7-amine
CID 117143835
2-(1,1-dioxothiolan-3-yl)-[1,2,4]triazolo[1,5-a]pyridin-7-amine
CID 117133515
3-(1,1-dioxothiolan-3-yl)-[1,2,4]triazolo[4,3-a]pyridin-5-amine
CID 117141245
5-(1,1-dioxothiolan-3-yl)pyridin-3-amine
CID 115027948
3-(1,1-dioxothiolan-3-yl)-[1,2,4]triazolo[4,3-a]pyridine-5-carboxylic acid
CID 117142451
3-cyclopropyl-7-methyl-[1,2,4]triazolo[4,3-a]pyridine
CID 117144807
7-bromo-3-cyclopropyl-[1,2,4]triazolo[4,3-a]pyridine
CID 53393311
2-(1,1-dioxothiolan-3-yl)imidazo[1,2-a]pyridin-5-amine
CID 117131128
2-(1,1-dioxothiolan-3-yl)-[1,2,4]triazolo[1,5-a]pyridin-5-amine
CID 117131133
3-cyclobutyl-[1,2,4]triazolo[4,3-a]pyridine-7-carboxylic acid
CID 83640668
1-(3-cyclobutyl-[1,2,4]triazolo[4,3-a]pyridin-7-yl)ethanone
CID 83886634

Frequently Asked Questions

What is the IUPAC name of 3-(1,1-dioxothiolan-3-yl)-[1,2,4]triazolo[4,3-a]pyridin-7-amine?
The IUPAC name of 3-(1,1-dioxothiolan-3-yl)-[1,2,4]triazolo[4,3-a]pyridin-7-amine (CID 117143756) is 3-(1,1-dioxothiolan-3-yl)-[1,2,4]triazolo[4,3-a]pyridin-7-amine.
What is the SMILES notation for 3-(1,1-dioxothiolan-3-yl)-[1,2,4]triazolo[4,3-a]pyridin-7-amine?
The canonical SMILES for 3-(1,1-dioxothiolan-3-yl)-[1,2,4]triazolo[4,3-a]pyridin-7-amine is Nc1ccn2c(C3CCS(=O)(=O)C3)nnc2c1.
What is the InChIKey of 3-(1,1-dioxothiolan-3-yl)-[1,2,4]triazolo[4,3-a]pyridin-7-amine?
The InChIKey is LLMTYTGCJUHLFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4O2S/c11-8-1-3-14-9(5-8)12-13-10(14)7-2-4-17(15,16)6-7/h1,3,5,7H,2,4,6,11H2.
What are the key properties of 3-(1,1-dioxothiolan-3-yl)-[1,2,4]triazolo[4,3-a]pyridin-7-amine?
3-(1,1-dioxothiolan-3-yl)-[1,2,4]triazolo[4,3-a]pyridin-7-amine has a molecular weight of 252.30 g/mol, XLogP of 0.21, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,1-dioxothiolan-3-yl)-[1,2,4]triazolo[4,3-a]pyridin-7-amine is sourced from PubChem (CID 117143756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).