6-[[4-(dimethylamino)-6-methylsulfanyl-1,3,5-triazin-2-yl]oxy]-2-propylpyridazin-3-one

C13H18N6O2S — CID 661051

IUPAC6-[[4-(dimethylamino)-6-methylsulfanyl-1,3,5-triazin-2-yl]oxy]-2-propylpyridazin-3-one
SMILESCCCn1nc(Oc2nc(SC)nc(N(C)C)n2)ccc1=O
InChIInChI=1S/C13H18N6O2S/c1-5-8-19-10(20)7-6-9(17-19)21-12-14-11(18(2)3)15-13(16-12)22-4/h6-7H,5,8H2,1-4H3
InChIKeyVZZJCGSEBCLFRP-UHFFFAOYSA-N
MW322.39 g/mol
LogP1.42
Rot. Bonds6

About 6-[[4-(dimethylamino)-6-methylsulfanyl-1,3,5-triazin-2-yl]oxy]-2-propylpyridazin-3-one

6-[[4-(dimethylamino)-6-methylsulfanyl-1,3,5-triazin-2-yl]oxy]-2-propylpyridazin-3-one (PubChem CID 661051) has the molecular formula C13H18N6O2S and a molecular weight of 322.39 g/mol. Its IUPAC name is 6-[[4-(dimethylamino)-6-methylsulfanyl-1,3,5-triazin-2-yl]oxy]-2-propylpyridazin-3-one.

Molecular Properties

Compound Name6-[[4-(dimethylamino)-6-methylsulfanyl-1,3,5-triazin-2-yl]oxy]-2-propylpyridazin-3-one
PubChem CID661051
Molecular FormulaC13H18N6O2S
Molecular Weight322.39 g/mol
Exact Mass322.12
IUPAC Name6-[[4-(dimethylamino)-6-methylsulfanyl-1,3,5-triazin-2-yl]oxy]-2-propylpyridazin-3-one
SMILESCCCn1nc(Oc2nc(SC)nc(N(C)C)n2)ccc1=O
InChIInChI=1S/C13H18N6O2S/c1-5-8-19-10(20)7-6-9(17-19)21-12-14-11(18(2)3)15-13(16-12)22-4/h6-7H,5,8H2,1-4H3
InChIKeyVZZJCGSEBCLFRP-UHFFFAOYSA-N
XLogP1.42
TPSA86.03 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.39
LogP ≤ 51.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 6-[[4-(dimethylamino)-6-methylsulfanyl-1,3,5-triazin-2-yl]oxy]-2-propylpyridazin-3-one?
The IUPAC name of 6-[[4-(dimethylamino)-6-methylsulfanyl-1,3,5-triazin-2-yl]oxy]-2-propylpyridazin-3-one (CID 661051) is 6-[[4-(dimethylamino)-6-methylsulfanyl-1,3,5-triazin-2-yl]oxy]-2-propylpyridazin-3-one.
What is the SMILES notation for 6-[[4-(dimethylamino)-6-methylsulfanyl-1,3,5-triazin-2-yl]oxy]-2-propylpyridazin-3-one?
The canonical SMILES for 6-[[4-(dimethylamino)-6-methylsulfanyl-1,3,5-triazin-2-yl]oxy]-2-propylpyridazin-3-one is CCCn1nc(Oc2nc(SC)nc(N(C)C)n2)ccc1=O.
What is the InChIKey of 6-[[4-(dimethylamino)-6-methylsulfanyl-1,3,5-triazin-2-yl]oxy]-2-propylpyridazin-3-one?
The InChIKey is VZZJCGSEBCLFRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N6O2S/c1-5-8-19-10(20)7-6-9(17-19)21-12-14-11(18(2)3)15-13(16-12)22-4/h6-7H,5,8H2,1-4H3.
What are the key properties of 6-[[4-(dimethylamino)-6-methylsulfanyl-1,3,5-triazin-2-yl]oxy]-2-propylpyridazin-3-one?
6-[[4-(dimethylamino)-6-methylsulfanyl-1,3,5-triazin-2-yl]oxy]-2-propylpyridazin-3-one has a molecular weight of 322.39 g/mol, XLogP of 1.42, 6 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[4-(dimethylamino)-6-methylsulfanyl-1,3,5-triazin-2-yl]oxy]-2-propylpyridazin-3-one is sourced from PubChem (CID 661051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).