6-[2-(cyclopropylmethoxy)-5-methylsulfanylphenyl]-2,5-dimethylpyridazin-3-one

C17H20N2O2S — CID 134311470

IUPAC6-[2-(cyclopropylmethoxy)-5-methylsulfanylphenyl]-2,5-dimethylpyridazin-3-one
SMILESCSc1ccc(OCC2CC2)c(-c2nn(C)c(=O)cc2C)c1
InChIInChI=1S/C17H20N2O2S/c1-11-8-16(20)19(2)18-17(11)14-9-13(22-3)6-7-15(14)21-10-12-4-5-12/h6-9,12H,4-5,10H2,1-3H3
InChIKeyYVEVIADJNACVOJ-UHFFFAOYSA-N
MW316.43 g/mol
LogP3.27
Rot. Bonds5

About 6-[2-(cyclopropylmethoxy)-5-methylsulfanylphenyl]-2,5-dimethylpyridazin-3-one

6-[2-(cyclopropylmethoxy)-5-methylsulfanylphenyl]-2,5-dimethylpyridazin-3-one (PubChem CID 134311470) has the molecular formula C17H20N2O2S and a molecular weight of 316.43 g/mol. Its IUPAC name is 6-[2-(cyclopropylmethoxy)-5-methylsulfanylphenyl]-2,5-dimethylpyridazin-3-one.

Molecular Properties

Compound Name6-[2-(cyclopropylmethoxy)-5-methylsulfanylphenyl]-2,5-dimethylpyridazin-3-one
PubChem CID134311470
Molecular FormulaC17H20N2O2S
Molecular Weight316.43 g/mol
Exact Mass316.12
IUPAC Name6-[2-(cyclopropylmethoxy)-5-methylsulfanylphenyl]-2,5-dimethylpyridazin-3-one
SMILESCSc1ccc(OCC2CC2)c(-c2nn(C)c(=O)cc2C)c1
InChIInChI=1S/C17H20N2O2S/c1-11-8-16(20)19(2)18-17(11)14-9-13(22-3)6-7-15(14)21-10-12-4-5-12/h6-9,12H,4-5,10H2,1-3H3
InChIKeyYVEVIADJNACVOJ-UHFFFAOYSA-N
XLogP3.27
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.43
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-[2-(cyclopropylmethoxy)-5-methylsulfanylphenyl]-2,5-dimethylpyridazin-3-one?
The IUPAC name of 6-[2-(cyclopropylmethoxy)-5-methylsulfanylphenyl]-2,5-dimethylpyridazin-3-one (CID 134311470) is 6-[2-(cyclopropylmethoxy)-5-methylsulfanylphenyl]-2,5-dimethylpyridazin-3-one.
What is the SMILES notation for 6-[2-(cyclopropylmethoxy)-5-methylsulfanylphenyl]-2,5-dimethylpyridazin-3-one?
The canonical SMILES for 6-[2-(cyclopropylmethoxy)-5-methylsulfanylphenyl]-2,5-dimethylpyridazin-3-one is CSc1ccc(OCC2CC2)c(-c2nn(C)c(=O)cc2C)c1.
What is the InChIKey of 6-[2-(cyclopropylmethoxy)-5-methylsulfanylphenyl]-2,5-dimethylpyridazin-3-one?
The InChIKey is YVEVIADJNACVOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O2S/c1-11-8-16(20)19(2)18-17(11)14-9-13(22-3)6-7-15(14)21-10-12-4-5-12/h6-9,12H,4-5,10H2,1-3H3.
What are the key properties of 6-[2-(cyclopropylmethoxy)-5-methylsulfanylphenyl]-2,5-dimethylpyridazin-3-one?
6-[2-(cyclopropylmethoxy)-5-methylsulfanylphenyl]-2,5-dimethylpyridazin-3-one has a molecular weight of 316.43 g/mol, XLogP of 3.27, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(cyclopropylmethoxy)-5-methylsulfanylphenyl]-2,5-dimethylpyridazin-3-one is sourced from PubChem (CID 134311470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).