6-tert-butylsulfanyl-1-methyl-3-phenylpyridazin-4-one

C15H18N2OS — CID 14357924

IUPAC6-tert-butylsulfanyl-1-methyl-3-phenylpyridazin-4-one
SMILESCn1nc(-c2ccccc2)c(=O)cc1SC(C)(C)C
InChIInChI=1S/C15H18N2OS/c1-15(2,3)19-13-10-12(18)14(16-17(13)4)11-8-6-5-7-9-11/h5-10H,1-4H3
InChIKeyUARJCFGODUUVMF-UHFFFAOYSA-N
MW274.39 g/mol
LogP3.34
Rot. Bonds2

About 6-tert-butylsulfanyl-1-methyl-3-phenylpyridazin-4-one

6-tert-butylsulfanyl-1-methyl-3-phenylpyridazin-4-one (PubChem CID 14357924) has the molecular formula C15H18N2OS and a molecular weight of 274.39 g/mol. Its IUPAC name is 6-tert-butylsulfanyl-1-methyl-3-phenylpyridazin-4-one.

Molecular Properties

Compound Name6-tert-butylsulfanyl-1-methyl-3-phenylpyridazin-4-one
PubChem CID14357924
Molecular FormulaC15H18N2OS
Molecular Weight274.39 g/mol
Exact Mass274.11
IUPAC Name6-tert-butylsulfanyl-1-methyl-3-phenylpyridazin-4-one
SMILESCn1nc(-c2ccccc2)c(=O)cc1SC(C)(C)C
InChIInChI=1S/C15H18N2OS/c1-15(2,3)19-13-10-12(18)14(16-17(13)4)11-8-6-5-7-9-11/h5-10H,1-4H3
InChIKeyUARJCFGODUUVMF-UHFFFAOYSA-N
XLogP3.34
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.39
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(Dimethylamino)-5-phenyl-1,3,4-thiadiazin-6-one
CID 12733825
2,4-Dimethyl-6-phenyltriazin-5-one
CID 13610388
1-Methyl-3-(4-methylphenyl)pyridazin-4-one
CID 20514086
1-Ethyl-3-(4-methylphenyl)pyridazin-4-one
CID 20563943
1-(Dimethylhydrazinylidene)-1-phenylpropan-2-one
CID 86079022
(1E)-1-(dimethylhydrazinylidene)-1-phenylpentan-3-one
CID 89942673
1-(Dimethylhydrazinylidene)-1-phenylpentan-3-one
CID 89942675
(1Z)-1-(dimethylhydrazinylidene)-1-phenylpropan-2-one
CID 89942833
(5Z)-5-(dimethylhydrazinylidene)-5-phenylpentan-2-one
CID 89942882
(4E)-4-(dimethylhydrazinylidene)-4-phenylbutan-2-one
CID 89943011
4-(Dimethylhydrazinylidene)-4-phenylbutan-2-one
CID 89943012
5-(Dimethylhydrazinylidene)-5-phenylpentan-2-one
CID 173529108

Frequently Asked Questions

What is the IUPAC name of 6-tert-butylsulfanyl-1-methyl-3-phenylpyridazin-4-one?
The IUPAC name of 6-tert-butylsulfanyl-1-methyl-3-phenylpyridazin-4-one (CID 14357924) is 6-tert-butylsulfanyl-1-methyl-3-phenylpyridazin-4-one.
What is the SMILES notation for 6-tert-butylsulfanyl-1-methyl-3-phenylpyridazin-4-one?
The canonical SMILES for 6-tert-butylsulfanyl-1-methyl-3-phenylpyridazin-4-one is Cn1nc(-c2ccccc2)c(=O)cc1SC(C)(C)C.
What is the InChIKey of 6-tert-butylsulfanyl-1-methyl-3-phenylpyridazin-4-one?
The InChIKey is UARJCFGODUUVMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2OS/c1-15(2,3)19-13-10-12(18)14(16-17(13)4)11-8-6-5-7-9-11/h5-10H,1-4H3.
What are the key properties of 6-tert-butylsulfanyl-1-methyl-3-phenylpyridazin-4-one?
6-tert-butylsulfanyl-1-methyl-3-phenylpyridazin-4-one has a molecular weight of 274.39 g/mol, XLogP of 3.34, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-tert-butylsulfanyl-1-methyl-3-phenylpyridazin-4-one is sourced from PubChem (CID 14357924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).