2-methyl-6-[[4-(methylamino)-6-methylsulfanyl-1,3,5-triazin-2-yl]oxy]pyridazin-3-one

C10H12N6O2S — CID 890430

IUPAC2-methyl-6-[[4-(methylamino)-6-methylsulfanyl-1,3,5-triazin-2-yl]oxy]pyridazin-3-one
SMILESCNc1nc(Oc2ccc(=O)n(C)n2)nc(SC)n1
InChIInChI=1S/C10H12N6O2S/c1-11-8-12-9(14-10(13-8)19-3)18-6-4-5-7(17)16(2)15-6/h4-5H,1-3H3,(H,11,12,13,14)
InChIKeyBVKJXPVZPIIZOB-UHFFFAOYSA-N
MW280.31 g/mol
LogP0.52
Rot. Bonds4

About 2-methyl-6-[[4-(methylamino)-6-methylsulfanyl-1,3,5-triazin-2-yl]oxy]pyridazin-3-one

2-methyl-6-[[4-(methylamino)-6-methylsulfanyl-1,3,5-triazin-2-yl]oxy]pyridazin-3-one (PubChem CID 890430) has the molecular formula C10H12N6O2S and a molecular weight of 280.31 g/mol. Its IUPAC name is 2-methyl-6-[[4-(methylamino)-6-methylsulfanyl-1,3,5-triazin-2-yl]oxy]pyridazin-3-one.

Molecular Properties

Compound Name2-methyl-6-[[4-(methylamino)-6-methylsulfanyl-1,3,5-triazin-2-yl]oxy]pyridazin-3-one
PubChem CID890430
Molecular FormulaC10H12N6O2S
Molecular Weight280.31 g/mol
Exact Mass280.07
IUPAC Name2-methyl-6-[[4-(methylamino)-6-methylsulfanyl-1,3,5-triazin-2-yl]oxy]pyridazin-3-one
SMILESCNc1nc(Oc2ccc(=O)n(C)n2)nc(SC)n1
InChIInChI=1S/C10H12N6O2S/c1-11-8-12-9(14-10(13-8)19-3)18-6-4-5-7(17)16(2)15-6/h4-5H,1-3H3,(H,11,12,13,14)
InChIKeyBVKJXPVZPIIZOB-UHFFFAOYSA-N
XLogP0.52
TPSA94.82 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.31
LogP ≤ 50.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-[[4-(methylamino)-6-methylsulfanyl-1,3,5-triazin-2-yl]oxy]pyridazin-3-one?
The IUPAC name of 2-methyl-6-[[4-(methylamino)-6-methylsulfanyl-1,3,5-triazin-2-yl]oxy]pyridazin-3-one (CID 890430) is 2-methyl-6-[[4-(methylamino)-6-methylsulfanyl-1,3,5-triazin-2-yl]oxy]pyridazin-3-one.
What is the SMILES notation for 2-methyl-6-[[4-(methylamino)-6-methylsulfanyl-1,3,5-triazin-2-yl]oxy]pyridazin-3-one?
The canonical SMILES for 2-methyl-6-[[4-(methylamino)-6-methylsulfanyl-1,3,5-triazin-2-yl]oxy]pyridazin-3-one is CNc1nc(Oc2ccc(=O)n(C)n2)nc(SC)n1.
What is the InChIKey of 2-methyl-6-[[4-(methylamino)-6-methylsulfanyl-1,3,5-triazin-2-yl]oxy]pyridazin-3-one?
The InChIKey is BVKJXPVZPIIZOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N6O2S/c1-11-8-12-9(14-10(13-8)19-3)18-6-4-5-7(17)16(2)15-6/h4-5H,1-3H3,(H,11,12,13,14).
What are the key properties of 2-methyl-6-[[4-(methylamino)-6-methylsulfanyl-1,3,5-triazin-2-yl]oxy]pyridazin-3-one?
2-methyl-6-[[4-(methylamino)-6-methylsulfanyl-1,3,5-triazin-2-yl]oxy]pyridazin-3-one has a molecular weight of 280.31 g/mol, XLogP of 0.52, 4 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-[[4-(methylamino)-6-methylsulfanyl-1,3,5-triazin-2-yl]oxy]pyridazin-3-one is sourced from PubChem (CID 890430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).