2-(1,1-dioxothiolan-3-yl)-[1,2,4]triazolo[1,5-a]pyridin-7-amine

C10H12N4O2S — CID 117133515

IUPAC2-(1,1-dioxothiolan-3-yl)-[1,2,4]triazolo[1,5-a]pyridin-7-amine
SMILESNc1ccn2nc(C3CCS(=O)(=O)C3)nc2c1
InChIInChI=1S/C10H12N4O2S/c11-8-1-3-14-9(5-8)12-10(13-14)7-2-4-17(15,16)6-7/h1,3,5,7H,2,4,6,11H2
InChIKeyXMOSYKYFFXZSMI-UHFFFAOYSA-N
MW252.30 g/mol
LogP0.21
Rot. Bonds1

About 2-(1,1-dioxothiolan-3-yl)-[1,2,4]triazolo[1,5-a]pyridin-7-amine

2-(1,1-dioxothiolan-3-yl)-[1,2,4]triazolo[1,5-a]pyridin-7-amine (PubChem CID 117133515) has the molecular formula C10H12N4O2S and a molecular weight of 252.30 g/mol. Its IUPAC name is 2-(1,1-dioxothiolan-3-yl)-[1,2,4]triazolo[1,5-a]pyridin-7-amine.

Molecular Properties

Compound Name2-(1,1-dioxothiolan-3-yl)-[1,2,4]triazolo[1,5-a]pyridin-7-amine
PubChem CID117133515
Molecular FormulaC10H12N4O2S
Molecular Weight252.30 g/mol
Exact Mass252.07
IUPAC Name2-(1,1-dioxothiolan-3-yl)-[1,2,4]triazolo[1,5-a]pyridin-7-amine
SMILESNc1ccn2nc(C3CCS(=O)(=O)C3)nc2c1
InChIInChI=1S/C10H12N4O2S/c11-8-1-3-14-9(5-8)12-10(13-14)7-2-4-17(15,16)6-7/h1,3,5,7H,2,4,6,11H2
InChIKeyXMOSYKYFFXZSMI-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 2-(1,1-dioxothiolan-3-yl)-[1,2,4]triazolo[1,5-a]pyridin-7-amine with MolForge

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Related Compounds

2-(1,1-dioxothiolan-3-yl)-[1,2,4]triazolo[1,5-a]pyridin-5-amine
CID 117131133
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-7-amine
CID 117143756
3-(5-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)thiolane 1,1-dioxide
CID 117131136
2-(1-propan-2-ylpyrrolidin-3-yl)-[1,2,4]triazolo[1,5-a]pyridin-7-amine
CID 117133557
3-(5-methoxy-[1,2,4]triazolo[1,5-a]pyridin-2-yl)thiolane 1,1-dioxide
CID 117131081
3-[3-(1,1-dioxothiolan-3-yl)-1,2,4-oxadiazol-5-yl]aniline
CID 115335898
2-(1-ethylpyrrolidin-2-yl)-[1,2,4]triazolo[1,5-a]pyridin-7-amine
CID 117134200
2-(1,1-dioxothiolan-3-yl)imidazo[1,2-a]pyridin-5-amine
CID 117131128
3-(4,6-dichloropyrimidin-2-yl)thiolane 1,1-dioxide
CID 115336168
3-chloro-4-[3-(1,1-dioxothiolan-3-yl)-1,2,4-oxadiazol-5-yl]aniline
CID 115335833
2-(1,1-dioxothian-3-yl)-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylic acid
CID 117131700

Frequently Asked Questions

What is the IUPAC name of 2-(1,1-dioxothiolan-3-yl)-[1,2,4]triazolo[1,5-a]pyridin-7-amine?
The IUPAC name of 2-(1,1-dioxothiolan-3-yl)-[1,2,4]triazolo[1,5-a]pyridin-7-amine (CID 117133515) is 2-(1,1-dioxothiolan-3-yl)-[1,2,4]triazolo[1,5-a]pyridin-7-amine.
What is the SMILES notation for 2-(1,1-dioxothiolan-3-yl)-[1,2,4]triazolo[1,5-a]pyridin-7-amine?
The canonical SMILES for 2-(1,1-dioxothiolan-3-yl)-[1,2,4]triazolo[1,5-a]pyridin-7-amine is Nc1ccn2nc(C3CCS(=O)(=O)C3)nc2c1.
What is the InChIKey of 2-(1,1-dioxothiolan-3-yl)-[1,2,4]triazolo[1,5-a]pyridin-7-amine?
The InChIKey is XMOSYKYFFXZSMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4O2S/c11-8-1-3-14-9(5-8)12-10(13-14)7-2-4-17(15,16)6-7/h1,3,5,7H,2,4,6,11H2.
What are the key properties of 2-(1,1-dioxothiolan-3-yl)-[1,2,4]triazolo[1,5-a]pyridin-7-amine?
2-(1,1-dioxothiolan-3-yl)-[1,2,4]triazolo[1,5-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 2-(1,1-dioxothiolan-3-yl)-[1,2,4]triazolo[1,5-a]pyridin-7-amine is sourced from PubChem (CID 117133515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).