4-methoxy-6-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]-1,3,5-triazin-2-amine

C7H8N6O2S — CID 80892353

IUPAC4-methoxy-6-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]-1,3,5-triazin-2-amine
SMILESCOc1nc(N)nc(Sc2nnc(C)o2)n1
InChIInChI=1S/C7H8N6O2S/c1-3-12-13-7(15-3)16-6-10-4(8)9-5(11-6)14-2/h1-2H3,(H2,8,9,10,11)
InChIKeyIXQZLGWUEDXCAF-UHFFFAOYSA-N
MW240.25 g/mol
LogP0.31
Rot. Bonds3

About 4-methoxy-6-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]-1,3,5-triazin-2-amine

4-methoxy-6-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]-1,3,5-triazin-2-amine (PubChem CID 80892353) has the molecular formula C7H8N6O2S and a molecular weight of 240.25 g/mol. Its IUPAC name is 4-methoxy-6-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-methoxy-6-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]-1,3,5-triazin-2-amine
PubChem CID80892353
Molecular FormulaC7H8N6O2S
Molecular Weight240.25 g/mol
Exact Mass240.04
IUPAC Name4-methoxy-6-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]-1,3,5-triazin-2-amine
SMILESCOc1nc(N)nc(Sc2nnc(C)o2)n1
InChIInChI=1S/C7H8N6O2S/c1-3-12-13-7(15-3)16-6-10-4(8)9-5(11-6)14-2/h1-2H3,(H2,8,9,10,11)
InChIKeyIXQZLGWUEDXCAF-UHFFFAOYSA-N
XLogP0.31
TPSA112.84 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.25
LogP ≤ 50.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-6-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]-1,3,5-triazin-2-amine?
The IUPAC name of 4-methoxy-6-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]-1,3,5-triazin-2-amine (CID 80892353) is 4-methoxy-6-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-methoxy-6-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]-1,3,5-triazin-2-amine?
The canonical SMILES for 4-methoxy-6-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]-1,3,5-triazin-2-amine is COc1nc(N)nc(Sc2nnc(C)o2)n1.
What is the InChIKey of 4-methoxy-6-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]-1,3,5-triazin-2-amine?
The InChIKey is IXQZLGWUEDXCAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N6O2S/c1-3-12-13-7(15-3)16-6-10-4(8)9-5(11-6)14-2/h1-2H3,(H2,8,9,10,11).
What are the key properties of 4-methoxy-6-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]-1,3,5-triazin-2-amine?
4-methoxy-6-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]-1,3,5-triazin-2-amine has a molecular weight of 240.25 g/mol, XLogP of 0.31, 3 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-6-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]-1,3,5-triazin-2-amine is sourced from PubChem (CID 80892353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).