furan-2-yl-(5-methyl-2-sulfanylidene-[1,2,4]triazolo[1,5-a]pyridin-3-yl)methanone

C12H9N3O2S — CID 663880

IUPACfuran-2-yl-(5-methyl-2-sulfanylidene-[1,2,4]triazolo[1,5-a]pyridin-3-yl)methanone
SMILESCc1cccc2nc(=S)n(C(=O)c3ccco3)n12
InChIInChI=1S/C12H9N3O2S/c1-8-4-2-6-10-13-12(18)15(14(8)10)11(16)9-5-3-7-17-9/h2-7H,1H3
InChIKeyDZKXHZLHRCIBHX-UHFFFAOYSA-N
MW259.29 g/mol
LogP2.46
Rot. Bonds1

About furan-2-yl-(5-methyl-2-sulfanylidene-[1,2,4]triazolo[1,5-a]pyridin-3-yl)methanone

furan-2-yl-(5-methyl-2-sulfanylidene-[1,2,4]triazolo[1,5-a]pyridin-3-yl)methanone (PubChem CID 663880) has the molecular formula C12H9N3O2S and a molecular weight of 259.29 g/mol. Its IUPAC name is furan-2-yl-(5-methyl-2-sulfanylidene-[1,2,4]triazolo[1,5-a]pyridin-3-yl)methanone.

Molecular Properties

Compound Namefuran-2-yl-(5-methyl-2-sulfanylidene-[1,2,4]triazolo[1,5-a]pyridin-3-yl)methanone
PubChem CID663880
Molecular FormulaC12H9N3O2S
Molecular Weight259.29 g/mol
Exact Mass259.04
IUPAC Namefuran-2-yl-(5-methyl-2-sulfanylidene-[1,2,4]triazolo[1,5-a]pyridin-3-yl)methanone
SMILESCc1cccc2nc(=S)n(C(=O)c3ccco3)n12
InChIInChI=1S/C12H9N3O2S/c1-8-4-2-6-10-13-12(18)15(14(8)10)11(16)9-5-3-7-17-9/h2-7H,1H3
InChIKeyDZKXHZLHRCIBHX-UHFFFAOYSA-N
XLogP2.46
TPSA52.44 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.29
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of furan-2-yl-(5-methyl-2-sulfanylidene-[1,2,4]triazolo[1,5-a]pyridin-3-yl)methanone?
The IUPAC name of furan-2-yl-(5-methyl-2-sulfanylidene-[1,2,4]triazolo[1,5-a]pyridin-3-yl)methanone (CID 663880) is furan-2-yl-(5-methyl-2-sulfanylidene-[1,2,4]triazolo[1,5-a]pyridin-3-yl)methanone.
What is the SMILES notation for furan-2-yl-(5-methyl-2-sulfanylidene-[1,2,4]triazolo[1,5-a]pyridin-3-yl)methanone?
The canonical SMILES for furan-2-yl-(5-methyl-2-sulfanylidene-[1,2,4]triazolo[1,5-a]pyridin-3-yl)methanone is Cc1cccc2nc(=S)n(C(=O)c3ccco3)n12.
What is the InChIKey of furan-2-yl-(5-methyl-2-sulfanylidene-[1,2,4]triazolo[1,5-a]pyridin-3-yl)methanone?
The InChIKey is DZKXHZLHRCIBHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9N3O2S/c1-8-4-2-6-10-13-12(18)15(14(8)10)11(16)9-5-3-7-17-9/h2-7H,1H3.
What are the key properties of furan-2-yl-(5-methyl-2-sulfanylidene-[1,2,4]triazolo[1,5-a]pyridin-3-yl)methanone?
furan-2-yl-(5-methyl-2-sulfanylidene-[1,2,4]triazolo[1,5-a]pyridin-3-yl)methanone has a molecular weight of 259.29 g/mol, XLogP of 2.46, 1 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for furan-2-yl-(5-methyl-2-sulfanylidene-[1,2,4]triazolo[1,5-a]pyridin-3-yl)methanone is sourced from PubChem (CID 663880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).