2-(methylsulfanylmethyl)-[1,2,4]triazolo[1,5-a]pyridin-8-amine

C8H10N4S — CID 117258051

IUPAC2-(methylsulfanylmethyl)-[1,2,4]triazolo[1,5-a]pyridin-8-amine
SMILESCSCc1nc2c(N)cccn2n1
InChIInChI=1S/C8H10N4S/c1-13-5-7-10-8-6(9)3-2-4-12(8)11-7/h2-4H,5,9H2,1H3
InChIKeyQLHFWGZMWSDRGT-UHFFFAOYSA-N
MW194.26 g/mol
LogP1.17
Rot. Bonds2

About 2-(methylsulfanylmethyl)-[1,2,4]triazolo[1,5-a]pyridin-8-amine

2-(methylsulfanylmethyl)-[1,2,4]triazolo[1,5-a]pyridin-8-amine (PubChem CID 117258051) has the molecular formula C8H10N4S and a molecular weight of 194.26 g/mol. Its IUPAC name is 2-(methylsulfanylmethyl)-[1,2,4]triazolo[1,5-a]pyridin-8-amine.

Molecular Properties

Compound Name2-(methylsulfanylmethyl)-[1,2,4]triazolo[1,5-a]pyridin-8-amine
PubChem CID117258051
Molecular FormulaC8H10N4S
Molecular Weight194.26 g/mol
Exact Mass194.06
IUPAC Name2-(methylsulfanylmethyl)-[1,2,4]triazolo[1,5-a]pyridin-8-amine
SMILESCSCc1nc2c(N)cccn2n1
InChIInChI=1S/C8H10N4S/c1-13-5-7-10-8-6(9)3-2-4-12(8)11-7/h2-4H,5,9H2,1H3
InChIKeyQLHFWGZMWSDRGT-UHFFFAOYSA-N
XLogP1.17
TPSA56.21 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.26
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(methylsulfanylmethyl)-[1,2,4]triazolo[1,5-a]pyridin-8-amine?
The IUPAC name of 2-(methylsulfanylmethyl)-[1,2,4]triazolo[1,5-a]pyridin-8-amine (CID 117258051) is 2-(methylsulfanylmethyl)-[1,2,4]triazolo[1,5-a]pyridin-8-amine.
What is the SMILES notation for 2-(methylsulfanylmethyl)-[1,2,4]triazolo[1,5-a]pyridin-8-amine?
The canonical SMILES for 2-(methylsulfanylmethyl)-[1,2,4]triazolo[1,5-a]pyridin-8-amine is CSCc1nc2c(N)cccn2n1.
What is the InChIKey of 2-(methylsulfanylmethyl)-[1,2,4]triazolo[1,5-a]pyridin-8-amine?
The InChIKey is QLHFWGZMWSDRGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N4S/c1-13-5-7-10-8-6(9)3-2-4-12(8)11-7/h2-4H,5,9H2,1H3.
What are the key properties of 2-(methylsulfanylmethyl)-[1,2,4]triazolo[1,5-a]pyridin-8-amine?
2-(methylsulfanylmethyl)-[1,2,4]triazolo[1,5-a]pyridin-8-amine has a molecular weight of 194.26 g/mol, XLogP of 1.17, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methylsulfanylmethyl)-[1,2,4]triazolo[1,5-a]pyridin-8-amine is sourced from PubChem (CID 117258051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).