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

C12H16N4S — CID 117131226

IUPAC[2-(thian-4-yl)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]methanamine
SMILESNCc1cccc2nc(C3CCSCC3)nn12
InChIInChI=1S/C12H16N4S/c13-8-10-2-1-3-11-14-12(15-16(10)11)9-4-6-17-7-5-9/h1-3,9H,4-8,13H2
InChIKeyDFFGGGZRBXNMQJ-UHFFFAOYSA-N
MW248.35 g/mol
LogP1.80
Rot. Bonds2

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

[2-(thian-4-yl)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]methanamine (PubChem CID 117131226) has the molecular formula C12H16N4S and a molecular weight of 248.35 g/mol. Its IUPAC name is [2-(thian-4-yl)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]methanamine.

Molecular Properties

Compound Name[2-(thian-4-yl)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]methanamine
PubChem CID117131226
Molecular FormulaC12H16N4S
Molecular Weight248.35 g/mol
Exact Mass248.11
IUPAC Name[2-(thian-4-yl)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]methanamine
SMILESNCc1cccc2nc(C3CCSCC3)nn12
InChIInChI=1S/C12H16N4S/c13-8-10-2-1-3-11-14-12(15-16(10)11)9-4-6-17-7-5-9/h1-3,9H,4-8,13H2
InChIKeyDFFGGGZRBXNMQJ-UHFFFAOYSA-N
XLogP1.80
TPSA56.21 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.35
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [2-(thian-4-yl)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]methanamine?
The IUPAC name of [2-(thian-4-yl)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]methanamine (CID 117131226) is [2-(thian-4-yl)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]methanamine.
What is the SMILES notation for [2-(thian-4-yl)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]methanamine?
The canonical SMILES for [2-(thian-4-yl)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]methanamine is NCc1cccc2nc(C3CCSCC3)nn12.
What is the InChIKey of [2-(thian-4-yl)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]methanamine?
The InChIKey is DFFGGGZRBXNMQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4S/c13-8-10-2-1-3-11-14-12(15-16(10)11)9-4-6-17-7-5-9/h1-3,9H,4-8,13H2.
What are the key properties of [2-(thian-4-yl)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]methanamine?
[2-(thian-4-yl)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]methanamine has a molecular weight of 248.35 g/mol, XLogP of 1.80, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(thian-4-yl)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]methanamine is sourced from PubChem (CID 117131226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).