3-(1,1-dioxothiolan-3-yl)-[1,2,4]triazolo[4,3-a]pyridin-5-amine

C10H12N4O2S — CID 117141245

IUPAC3-(1,1-dioxothiolan-3-yl)-[1,2,4]triazolo[4,3-a]pyridin-5-amine
SMILESNc1cccc2nnc(C3CCS(=O)(=O)C3)n12
InChIInChI=1S/C10H12N4O2S/c11-8-2-1-3-9-12-13-10(14(8)9)7-4-5-17(15,16)6-7/h1-3,7H,4-6,11H2
InChIKeyDSJDMPKIGLATCK-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-5-amine

3-(1,1-dioxothiolan-3-yl)-[1,2,4]triazolo[4,3-a]pyridin-5-amine (PubChem CID 117141245) 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-5-amine.

Molecular Properties

Compound Name3-(1,1-dioxothiolan-3-yl)-[1,2,4]triazolo[4,3-a]pyridin-5-amine
PubChem CID117141245
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-5-amine
SMILESNc1cccc2nnc(C3CCS(=O)(=O)C3)n12
InChIInChI=1S/C10H12N4O2S/c11-8-2-1-3-9-12-13-10(14(8)9)7-4-5-17(15,16)6-7/h1-3,7H,4-6,11H2
InChIKeyDSJDMPKIGLATCK-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-5-amine with MolForge

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Related Compounds

3-(1,1-dioxothiolan-3-yl)-[1,2,4]triazolo[4,3-a]pyridine-5-carboxylic acid
CID 117142451
2-(1,1-dioxothiolan-3-yl)imidazo[1,2-a]pyridin-5-amine
CID 117131128
3-(1,1-dioxothiolan-3-yl)-[1,2,4]triazolo[4,3-a]pyridin-7-amine
CID 117143756
2-(1,1-dioxothiolan-3-yl)-[1,2,4]triazolo[1,5-a]pyridin-5-amine
CID 117131133
methyl 3-(1,1-dioxothian-4-yl)-[1,2,4]triazolo[4,3-a]pyridine-5-carboxylate
CID 117142477
3-(thiolan-2-yl)-[1,2,4]triazolo[4,3-a]pyridin-5-amine
CID 117141546
5-amino-3-(1,1-dioxothian-4-yl)imidazo[1,5-a]pyridine-1-carboxylic acid
CID 117250402
3-cyclopropyl-[1,2,4]triazolo[4,3-a]pyridine-5-carboxylic acid
CID 83686835
3-(1-ethylpyrrolidin-2-yl)-[1,2,4]triazolo[4,3-a]pyridin-5-amine
CID 117141578
3-(5-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)thiolane 1,1-dioxide
CID 117131136
4-(1,1-dioxothiolan-3-yl)-3-fluorobenzene-1,2-diamine
CID 175294684
3-(1,1-dioxothian-3-yl)imidazo[1,5-a]pyridine-5-carboxylic acid
CID 117142556

Frequently Asked Questions

What is the IUPAC name of 3-(1,1-dioxothiolan-3-yl)-[1,2,4]triazolo[4,3-a]pyridin-5-amine?
The IUPAC name of 3-(1,1-dioxothiolan-3-yl)-[1,2,4]triazolo[4,3-a]pyridin-5-amine (CID 117141245) is 3-(1,1-dioxothiolan-3-yl)-[1,2,4]triazolo[4,3-a]pyridin-5-amine.
What is the SMILES notation for 3-(1,1-dioxothiolan-3-yl)-[1,2,4]triazolo[4,3-a]pyridin-5-amine?
The canonical SMILES for 3-(1,1-dioxothiolan-3-yl)-[1,2,4]triazolo[4,3-a]pyridin-5-amine is Nc1cccc2nnc(C3CCS(=O)(=O)C3)n12.
What is the InChIKey of 3-(1,1-dioxothiolan-3-yl)-[1,2,4]triazolo[4,3-a]pyridin-5-amine?
The InChIKey is DSJDMPKIGLATCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4O2S/c11-8-2-1-3-9-12-13-10(14(8)9)7-4-5-17(15,16)6-7/h1-3,7H,4-6,11H2.
What are the key properties of 3-(1,1-dioxothiolan-3-yl)-[1,2,4]triazolo[4,3-a]pyridin-5-amine?
3-(1,1-dioxothiolan-3-yl)-[1,2,4]triazolo[4,3-a]pyridin-5-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-5-amine is sourced from PubChem (CID 117141245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).