[2-(1,1-dioxothiolan-2-yl)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]methanamine

C11H14N4O2S — CID 117129465

IUPAC[2-(1,1-dioxothiolan-2-yl)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]methanamine
SMILESNCc1ccc2nc(C3CCCS3(=O)=O)nn2c1
InChIInChI=1S/C11H14N4O2S/c12-6-8-3-4-10-13-11(14-15(10)7-8)9-2-1-5-18(9,16)17/h3-4,7,9H,1-2,5-6,12H2
InChIKeyJADCNZDFFNAQHA-UHFFFAOYSA-N
MW266.33 g/mol
LogP0.44
Rot. Bonds2

About [2-(1,1-dioxothiolan-2-yl)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]methanamine

[2-(1,1-dioxothiolan-2-yl)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]methanamine (PubChem CID 117129465) has the molecular formula C11H14N4O2S and a molecular weight of 266.33 g/mol. Its IUPAC name is [2-(1,1-dioxothiolan-2-yl)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]methanamine.

Molecular Properties

Compound Name[2-(1,1-dioxothiolan-2-yl)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]methanamine
PubChem CID117129465
Molecular FormulaC11H14N4O2S
Molecular Weight266.33 g/mol
Exact Mass266.08
IUPAC Name[2-(1,1-dioxothiolan-2-yl)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]methanamine
SMILESNCc1ccc2nc(C3CCCS3(=O)=O)nn2c1
InChIInChI=1S/C11H14N4O2S/c12-6-8-3-4-10-13-11(14-15(10)7-8)9-2-1-5-18(9,16)17/h3-4,7,9H,1-2,5-6,12H2
InChIKeyJADCNZDFFNAQHA-UHFFFAOYSA-N
XLogP0.44
TPSA90.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.33
LogP ≤ 50.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [2-(1,1-dioxothiolan-2-yl)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]methanamine with MolForge

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Related Compounds

2-(1,1-dioxothian-2-yl)-[1,2,4]triazolo[1,5-a]pyridin-6-ol
CID 117129655
2-(6-chloro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)thiane 1,1-dioxide
CID 117129656
[2-(thian-4-yl)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]methanamine
CID 117128913
[2-(oxan-3-yl)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]methanamine
CID 117129323
[2-(1-propan-2-ylpiperidin-3-yl)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]methanamine
CID 117129335
(2-ethyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)methanamine;dihydrochloride
CID 165431577
[3-(1,1-dioxothiolan-2-yl)imidazo[1,5-a]pyridin-7-yl]methanamine
CID 117143267
2-[(1,1-dioxothiolan-2-yl)methyl]-[1,2,4]triazolo[1,5-a]pyridine-6-carbaldehyde
CID 117129768
2-(1,1-dioxothian-2-yl)imidazo[1,2-a]pyridin-6-ol
CID 117129650
2-cyclobutyl-[1,2,4]triazolo[1,5-a]pyridin-6-amine
CID 75481318
2-[2-(1,1-dioxothiolan-2-yl)-1,3-thiazol-4-yl]ethanamine
CID 115088417
2-(5-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)thiolane 1,1-dioxide
CID 117141535

Frequently Asked Questions

What is the IUPAC name of [2-(1,1-dioxothiolan-2-yl)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]methanamine?
The IUPAC name of [2-(1,1-dioxothiolan-2-yl)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]methanamine (CID 117129465) is [2-(1,1-dioxothiolan-2-yl)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]methanamine.
What is the SMILES notation for [2-(1,1-dioxothiolan-2-yl)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]methanamine?
The canonical SMILES for [2-(1,1-dioxothiolan-2-yl)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]methanamine is NCc1ccc2nc(C3CCCS3(=O)=O)nn2c1.
What is the InChIKey of [2-(1,1-dioxothiolan-2-yl)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]methanamine?
The InChIKey is JADCNZDFFNAQHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O2S/c12-6-8-3-4-10-13-11(14-15(10)7-8)9-2-1-5-18(9,16)17/h3-4,7,9H,1-2,5-6,12H2.
What are the key properties of [2-(1,1-dioxothiolan-2-yl)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]methanamine?
[2-(1,1-dioxothiolan-2-yl)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]methanamine has a molecular weight of 266.33 g/mol, XLogP of 0.44, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(1,1-dioxothiolan-2-yl)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]methanamine is sourced from PubChem (CID 117129465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).