3-(1,1-dioxothiolan-2-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-8-amine

C10H16N4O2S — CID 117152623

IUPAC3-(1,1-dioxothiolan-2-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-8-amine
SMILESNC1CCCn2c1nnc2C1CCCS1(=O)=O
InChIInChI=1S/C10H16N4O2S/c11-7-3-1-5-14-9(7)12-13-10(14)8-4-2-6-17(8,15)16/h7-8H,1-6,11H2
InChIKeyWNXGBZFFCNMGIU-UHFFFAOYSA-N
MW256.33 g/mol
LogP0.32
Rot. Bonds1

About 3-(1,1-dioxothiolan-2-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-8-amine

3-(1,1-dioxothiolan-2-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-8-amine (PubChem CID 117152623) has the molecular formula C10H16N4O2S and a molecular weight of 256.33 g/mol. Its IUPAC name is 3-(1,1-dioxothiolan-2-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-8-amine.

Molecular Properties

Compound Name3-(1,1-dioxothiolan-2-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-8-amine
PubChem CID117152623
Molecular FormulaC10H16N4O2S
Molecular Weight256.33 g/mol
Exact Mass256.10
IUPAC Name3-(1,1-dioxothiolan-2-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-8-amine
SMILESNC1CCCn2c1nnc2C1CCCS1(=O)=O
InChIInChI=1S/C10H16N4O2S/c11-7-3-1-5-14-9(7)12-13-10(14)8-4-2-6-17(8,15)16/h7-8H,1-6,11H2
InChIKeyWNXGBZFFCNMGIU-UHFFFAOYSA-N
XLogP0.32
TPSA90.87 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.33
LogP ≤ 50.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3-(1,1-dioxothiolan-2-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-8-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-(1,1-dioxothiolan-2-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-8-amine?
The IUPAC name of 3-(1,1-dioxothiolan-2-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-8-amine (CID 117152623) is 3-(1,1-dioxothiolan-2-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-8-amine.
What is the SMILES notation for 3-(1,1-dioxothiolan-2-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-8-amine?
The canonical SMILES for 3-(1,1-dioxothiolan-2-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-8-amine is NC1CCCn2c1nnc2C1CCCS1(=O)=O.
What is the InChIKey of 3-(1,1-dioxothiolan-2-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-8-amine?
The InChIKey is WNXGBZFFCNMGIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O2S/c11-7-3-1-5-14-9(7)12-13-10(14)8-4-2-6-17(8,15)16/h7-8H,1-6,11H2.
What are the key properties of 3-(1,1-dioxothiolan-2-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-8-amine?
3-(1,1-dioxothiolan-2-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-8-amine has a molecular weight of 256.33 g/mol, XLogP of 0.32, 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-2-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-8-amine is sourced from PubChem (CID 117152623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).