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

C10H12N6O2S — CID 936879

IUPAC3-[[4-(ethylamino)-6-methylsulfanyl-1,3,5-triazin-2-yl]oxy]-1H-pyridazin-6-one
SMILESCCNc1nc(Oc2ccc(=O)[nH]n2)nc(SC)n1
InChIInChI=1S/C10H12N6O2S/c1-3-11-8-12-9(14-10(13-8)19-2)18-7-5-4-6(17)15-16-7/h4-5H,3H2,1-2H3,(H,15,17)(H,11,12,13,14)
InChIKeyIPSOIEGXNNWMQK-UHFFFAOYSA-N
MW280.31 g/mol
LogP0.90
Rot. Bonds5

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

3-[[4-(ethylamino)-6-methylsulfanyl-1,3,5-triazin-2-yl]oxy]-1H-pyridazin-6-one (PubChem CID 936879) has the molecular formula C10H12N6O2S and a molecular weight of 280.31 g/mol. Its IUPAC name is 3-[[4-(ethylamino)-6-methylsulfanyl-1,3,5-triazin-2-yl]oxy]-1H-pyridazin-6-one.

Molecular Properties

Compound Name3-[[4-(ethylamino)-6-methylsulfanyl-1,3,5-triazin-2-yl]oxy]-1H-pyridazin-6-one
PubChem CID936879
Molecular FormulaC10H12N6O2S
Molecular Weight280.31 g/mol
Exact Mass280.07
IUPAC Name3-[[4-(ethylamino)-6-methylsulfanyl-1,3,5-triazin-2-yl]oxy]-1H-pyridazin-6-one
SMILESCCNc1nc(Oc2ccc(=O)[nH]n2)nc(SC)n1
InChIInChI=1S/C10H12N6O2S/c1-3-11-8-12-9(14-10(13-8)19-2)18-7-5-4-6(17)15-16-7/h4-5H,3H2,1-2H3,(H,15,17)(H,11,12,13,14)
InChIKeyIPSOIEGXNNWMQK-UHFFFAOYSA-N
XLogP0.90
TPSA105.68 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.31
LogP ≤ 50.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 3-[[4-(ethylamino)-6-methylsulfanyl-1,3,5-triazin-2-yl]oxy]-1H-pyridazin-6-one?
The IUPAC name of 3-[[4-(ethylamino)-6-methylsulfanyl-1,3,5-triazin-2-yl]oxy]-1H-pyridazin-6-one (CID 936879) is 3-[[4-(ethylamino)-6-methylsulfanyl-1,3,5-triazin-2-yl]oxy]-1H-pyridazin-6-one.
What is the SMILES notation for 3-[[4-(ethylamino)-6-methylsulfanyl-1,3,5-triazin-2-yl]oxy]-1H-pyridazin-6-one?
The canonical SMILES for 3-[[4-(ethylamino)-6-methylsulfanyl-1,3,5-triazin-2-yl]oxy]-1H-pyridazin-6-one is CCNc1nc(Oc2ccc(=O)[nH]n2)nc(SC)n1.
What is the InChIKey of 3-[[4-(ethylamino)-6-methylsulfanyl-1,3,5-triazin-2-yl]oxy]-1H-pyridazin-6-one?
The InChIKey is IPSOIEGXNNWMQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N6O2S/c1-3-11-8-12-9(14-10(13-8)19-2)18-7-5-4-6(17)15-16-7/h4-5H,3H2,1-2H3,(H,15,17)(H,11,12,13,14).
What are the key properties of 3-[[4-(ethylamino)-6-methylsulfanyl-1,3,5-triazin-2-yl]oxy]-1H-pyridazin-6-one?
3-[[4-(ethylamino)-6-methylsulfanyl-1,3,5-triazin-2-yl]oxy]-1H-pyridazin-6-one has a molecular weight of 280.31 g/mol, XLogP of 0.90, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-(ethylamino)-6-methylsulfanyl-1,3,5-triazin-2-yl]oxy]-1H-pyridazin-6-one is sourced from PubChem (CID 936879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).