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

C11H14N4O2S — CID 117144113

IUPAC3-(1,1-dioxothian-2-yl)-[1,2,4]triazolo[4,3-a]pyridin-7-amine
SMILESNc1ccn2c(C3CCCCS3(=O)=O)nnc2c1
InChIInChI=1S/C11H14N4O2S/c12-8-4-5-15-10(7-8)13-14-11(15)9-3-1-2-6-18(9,16)17/h4-5,7,9H,1-3,6,12H2
InChIKeyVWIQKFBHVKJZBB-UHFFFAOYSA-N
MW266.33 g/mol
LogP0.95
Rot. Bonds1

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

3-(1,1-dioxothian-2-yl)-[1,2,4]triazolo[4,3-a]pyridin-7-amine (PubChem CID 117144113) has the molecular formula C11H14N4O2S and a molecular weight of 266.33 g/mol. Its IUPAC name is 3-(1,1-dioxothian-2-yl)-[1,2,4]triazolo[4,3-a]pyridin-7-amine.

Molecular Properties

Compound Name3-(1,1-dioxothian-2-yl)-[1,2,4]triazolo[4,3-a]pyridin-7-amine
PubChem CID117144113
Molecular FormulaC11H14N4O2S
Molecular Weight266.33 g/mol
Exact Mass266.08
IUPAC Name3-(1,1-dioxothian-2-yl)-[1,2,4]triazolo[4,3-a]pyridin-7-amine
SMILESNc1ccn2c(C3CCCCS3(=O)=O)nnc2c1
InChIInChI=1S/C11H14N4O2S/c12-8-4-5-15-10(7-8)13-14-11(15)9-3-1-2-6-18(9,16)17/h4-5,7,9H,1-3,6,12H2
InChIKeyVWIQKFBHVKJZBB-UHFFFAOYSA-N
XLogP0.95
TPSA90.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.33
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

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Related Compounds

3-(1,1-dioxothiolan-3-yl)-[1,2,4]triazolo[4,3-a]pyridin-7-amine
CID 117143756
3-piperidin-4-yl-[1,2,4]triazolo[4,3-a]pyridin-7-amine
CID 117143835
2-(6-bromo-[1,2,4]triazolo[4,3-a]pyridin-3-yl)thiolane 1,1-dioxide
CID 117139069
2-(8-methoxy-[1,2,4]triazolo[4,3-a]pyridin-3-yl)thiane 1,1-dioxide
CID 117145442
6-(1,1-dioxothian-2-yl)pyridazin-4-amine
CID 117105830
2-(8-methoxy-[1,2,4]triazolo[4,3-a]pyridin-3-yl)thiolane 1,1-dioxide
CID 117145429
3-(1,1-dioxothian-2-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-7-ol
CID 117151348
2-(5-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)thiolane 1,1-dioxide
CID 117141535
[3-(1,1-dioxothiolan-2-yl)imidazo[1,5-a]pyridin-7-yl]methanamine
CID 117143267
methyl 3-(1,1-dioxothian-2-yl)imidazo[1,5-a]pyridine-7-carboxylate
CID 117145079
2-(4-propan-2-yl-1,2,4-triazol-3-yl)thiane 1,1-dioxide
CID 104523031
2-(4-tert-butyl-1,2,4-triazol-3-yl)thiane 1,1-dioxide
CID 113422585

Frequently Asked Questions

What is the IUPAC name of 3-(1,1-dioxothian-2-yl)-[1,2,4]triazolo[4,3-a]pyridin-7-amine?
The IUPAC name of 3-(1,1-dioxothian-2-yl)-[1,2,4]triazolo[4,3-a]pyridin-7-amine (CID 117144113) is 3-(1,1-dioxothian-2-yl)-[1,2,4]triazolo[4,3-a]pyridin-7-amine.
What is the SMILES notation for 3-(1,1-dioxothian-2-yl)-[1,2,4]triazolo[4,3-a]pyridin-7-amine?
The canonical SMILES for 3-(1,1-dioxothian-2-yl)-[1,2,4]triazolo[4,3-a]pyridin-7-amine is Nc1ccn2c(C3CCCCS3(=O)=O)nnc2c1.
What is the InChIKey of 3-(1,1-dioxothian-2-yl)-[1,2,4]triazolo[4,3-a]pyridin-7-amine?
The InChIKey is VWIQKFBHVKJZBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O2S/c12-8-4-5-15-10(7-8)13-14-11(15)9-3-1-2-6-18(9,16)17/h4-5,7,9H,1-3,6,12H2.
What are the key properties of 3-(1,1-dioxothian-2-yl)-[1,2,4]triazolo[4,3-a]pyridin-7-amine?
3-(1,1-dioxothian-2-yl)-[1,2,4]triazolo[4,3-a]pyridin-7-amine has a molecular weight of 266.33 g/mol, XLogP of 0.95, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,1-dioxothian-2-yl)-[1,2,4]triazolo[4,3-a]pyridin-7-amine is sourced from PubChem (CID 117144113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).