2-(thiolan-2-ylmethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-amine

C11H18N4S — CID 117157916

IUPAC2-(thiolan-2-ylmethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-amine
SMILESNC1CCCn2nc(CC3CCCS3)nc21
InChIInChI=1S/C11H18N4S/c12-9-4-1-5-15-11(9)13-10(14-15)7-8-3-2-6-16-8/h8-9H,1-7,12H2
InChIKeyVUILFHBUCXSPIS-UHFFFAOYSA-N
MW238.36 g/mol
LogP1.51
Rot. Bonds2

About 2-(thiolan-2-ylmethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-amine

2-(thiolan-2-ylmethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-amine (PubChem CID 117157916) has the molecular formula C11H18N4S and a molecular weight of 238.36 g/mol. Its IUPAC name is 2-(thiolan-2-ylmethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-amine.

Molecular Properties

Compound Name2-(thiolan-2-ylmethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-amine
PubChem CID117157916
Molecular FormulaC11H18N4S
Molecular Weight238.36 g/mol
Exact Mass238.13
IUPAC Name2-(thiolan-2-ylmethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-amine
SMILESNC1CCCn2nc(CC3CCCS3)nc21
InChIInChI=1S/C11H18N4S/c12-9-4-1-5-15-11(9)13-10(14-15)7-8-3-2-6-16-8/h8-9H,1-7,12H2
InChIKeyVUILFHBUCXSPIS-UHFFFAOYSA-N
XLogP1.51
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.36
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(thiolan-2-ylmethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-amine?
The IUPAC name of 2-(thiolan-2-ylmethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-amine (CID 117157916) is 2-(thiolan-2-ylmethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-amine.
What is the SMILES notation for 2-(thiolan-2-ylmethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-amine?
The canonical SMILES for 2-(thiolan-2-ylmethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-amine is NC1CCCn2nc(CC3CCCS3)nc21.
What is the InChIKey of 2-(thiolan-2-ylmethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-amine?
The InChIKey is VUILFHBUCXSPIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4S/c12-9-4-1-5-15-11(9)13-10(14-15)7-8-3-2-6-16-8/h8-9H,1-7,12H2.
What are the key properties of 2-(thiolan-2-ylmethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-amine?
2-(thiolan-2-ylmethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-amine has a molecular weight of 238.36 g/mol, XLogP of 1.51, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(thiolan-2-ylmethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-amine is sourced from PubChem (CID 117157916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).