7-methyl-2-(sulfanylmethyl)-3H-[1,2,4]triazolo[1,5-a]pyridin-5-one

C8H9N3OS — CID 90971579

IUPAC7-methyl-2-(sulfanylmethyl)-3H-[1,2,4]triazolo[1,5-a]pyridin-5-one
SMILESCc1cc(=O)n2[nH]c(CS)nc2c1
InChIInChI=1S/C8H9N3OS/c1-5-2-7-9-6(4-13)10-11(7)8(12)3-5/h2-3,13H,4H2,1H3,(H,9,10)
InChIKeyYVQLFJABRNTOMN-UHFFFAOYSA-N
MW195.25 g/mol
LogP0.76
Rot. Bonds1

About 7-methyl-2-(sulfanylmethyl)-3H-[1,2,4]triazolo[1,5-a]pyridin-5-one

7-methyl-2-(sulfanylmethyl)-3H-[1,2,4]triazolo[1,5-a]pyridin-5-one (PubChem CID 90971579) has the molecular formula C8H9N3OS and a molecular weight of 195.25 g/mol. Its IUPAC name is 7-methyl-2-(sulfanylmethyl)-3H-[1,2,4]triazolo[1,5-a]pyridin-5-one.

Molecular Properties

Compound Name7-methyl-2-(sulfanylmethyl)-3H-[1,2,4]triazolo[1,5-a]pyridin-5-one
PubChem CID90971579
Molecular FormulaC8H9N3OS
Molecular Weight195.25 g/mol
Exact Mass195.05
IUPAC Name7-methyl-2-(sulfanylmethyl)-3H-[1,2,4]triazolo[1,5-a]pyridin-5-one
SMILESCc1cc(=O)n2[nH]c(CS)nc2c1
InChIInChI=1S/C8H9N3OS/c1-5-2-7-9-6(4-13)10-11(7)8(12)3-5/h2-3,13H,4H2,1H3,(H,9,10)
InChIKeyYVQLFJABRNTOMN-UHFFFAOYSA-N
XLogP0.76
TPSA50.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.25
LogP ≤ 50.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 7-methyl-2-(sulfanylmethyl)-3H-[1,2,4]triazolo[1,5-a]pyridin-5-one?
The IUPAC name of 7-methyl-2-(sulfanylmethyl)-3H-[1,2,4]triazolo[1,5-a]pyridin-5-one (CID 90971579) is 7-methyl-2-(sulfanylmethyl)-3H-[1,2,4]triazolo[1,5-a]pyridin-5-one.
What is the SMILES notation for 7-methyl-2-(sulfanylmethyl)-3H-[1,2,4]triazolo[1,5-a]pyridin-5-one?
The canonical SMILES for 7-methyl-2-(sulfanylmethyl)-3H-[1,2,4]triazolo[1,5-a]pyridin-5-one is Cc1cc(=O)n2[nH]c(CS)nc2c1.
What is the InChIKey of 7-methyl-2-(sulfanylmethyl)-3H-[1,2,4]triazolo[1,5-a]pyridin-5-one?
The InChIKey is YVQLFJABRNTOMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N3OS/c1-5-2-7-9-6(4-13)10-11(7)8(12)3-5/h2-3,13H,4H2,1H3,(H,9,10).
What are the key properties of 7-methyl-2-(sulfanylmethyl)-3H-[1,2,4]triazolo[1,5-a]pyridin-5-one?
7-methyl-2-(sulfanylmethyl)-3H-[1,2,4]triazolo[1,5-a]pyridin-5-one has a molecular weight of 195.25 g/mol, XLogP of 0.76, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-2-(sulfanylmethyl)-3H-[1,2,4]triazolo[1,5-a]pyridin-5-one is sourced from PubChem (CID 90971579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).