ethane;4-[(4-methoxyphenyl)methylsulfanyl]-1H-pyridazin-6-one;propane

C17H26N2O2S — CID 172614423

IUPACethane;4-[(4-methoxyphenyl)methylsulfanyl]-1H-pyridazin-6-one;propane
SMILESCC.CCC.COc1ccc(CSc2cn[nH]c(=O)c2)cc1
InChIInChI=1S/C12H12N2O2S.C3H8.C2H6/c1-16-10-4-2-9(3-5-10)8-17-11-6-12(15)14-13-7-11;1-3-2;1-2/h2-7H,8H2,1H3,(H,14,15);3H2,1-2H3;1-2H3
InChIKeyDPWUMWYCKRDTGY-UHFFFAOYSA-N
MW322.47 g/mol
LogP4.51
Rot. Bonds4

About ethane;4-[(4-methoxyphenyl)methylsulfanyl]-1H-pyridazin-6-one;propane

ethane;4-[(4-methoxyphenyl)methylsulfanyl]-1H-pyridazin-6-one;propane (PubChem CID 172614423) has the molecular formula C17H26N2O2S and a molecular weight of 322.47 g/mol. Its IUPAC name is ethane;4-[(4-methoxyphenyl)methylsulfanyl]-1H-pyridazin-6-one;propane.

Molecular Properties

Compound Nameethane;4-[(4-methoxyphenyl)methylsulfanyl]-1H-pyridazin-6-one;propane
PubChem CID172614423
Molecular FormulaC17H26N2O2S
Molecular Weight322.47 g/mol
Exact Mass322.17
IUPAC Nameethane;4-[(4-methoxyphenyl)methylsulfanyl]-1H-pyridazin-6-one;propane
SMILESCC.CCC.COc1ccc(CSc2cn[nH]c(=O)c2)cc1
InChIInChI=1S/C12H12N2O2S.C3H8.C2H6/c1-16-10-4-2-9(3-5-10)8-17-11-6-12(15)14-13-7-11;1-3-2;1-2/h2-7H,8H2,1H3,(H,14,15);3H2,1-2H3;1-2H3
InChIKeyDPWUMWYCKRDTGY-UHFFFAOYSA-N
XLogP4.51
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.47
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(4-methoxyphenyl)-2-[(4-methoxyphenyl)methylsulfanyl]-1H-pyrimidin-6-one
CID 136685789
[4-[(4-methoxyphenyl)sulfanylmethyl]phenyl]-methylideneoxidanium
CID 91412865
5-[(4-methoxyphenyl)sulfanylmethyl]-1,2-dihydropyrazol-3-one
CID 53318735
2-(1H-indazol-5-yl)-5-[(4-methoxyphenyl)methylsulfanyl]-1,3,4-oxadiazole
CID 68663687
[5-[(4-methoxyphenyl)methylsulfanyl]-2-pyridinyl]methanol
CID 175134378
6-ethyl-2-[(4-methoxyphenyl)methylsulfanyl]-3-methylpyrimidin-4-one
CID 7301710
2-[5-[(4-methoxyphenyl)methylsulfanyl]pyrimidin-2-yl]ethenamine
CID 174076896
(Z)-2-[5-[(4-methoxyphenyl)methylsulfanyl]pyrimidin-2-yl]ethenamine
CID 168898446
6-[(4-methoxyphenyl)methylsulfanyl]-3,4-dihydro-2H-1,2,4-triazin-5-one
CID 141454248
3,6-dimethoxy-4-[(4-methoxyphenyl)methylsulfanyl]pyridazine
CID 168898782
N-[4-[(4-methoxyphenyl)methylsulfanyl]phenyl]-2,2-dimethylpropanamide
CID 20712298
2-isocyano-4-[(4-methoxyphenyl)methylsulfanyl]thiophene
CID 177099761

Frequently Asked Questions

What is the IUPAC name of ethane;4-[(4-methoxyphenyl)methylsulfanyl]-1H-pyridazin-6-one;propane?
The IUPAC name of ethane;4-[(4-methoxyphenyl)methylsulfanyl]-1H-pyridazin-6-one;propane (CID 172614423) is ethane;4-[(4-methoxyphenyl)methylsulfanyl]-1H-pyridazin-6-one;propane.
What is the SMILES notation for ethane;4-[(4-methoxyphenyl)methylsulfanyl]-1H-pyridazin-6-one;propane?
The canonical SMILES for ethane;4-[(4-methoxyphenyl)methylsulfanyl]-1H-pyridazin-6-one;propane is CC.CCC.COc1ccc(CSc2cn[nH]c(=O)c2)cc1.
What is the InChIKey of ethane;4-[(4-methoxyphenyl)methylsulfanyl]-1H-pyridazin-6-one;propane?
The InChIKey is DPWUMWYCKRDTGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O2S.C3H8.C2H6/c1-16-10-4-2-9(3-5-10)8-17-11-6-12(15)14-13-7-11;1-3-2;1-2/h2-7H,8H2,1H3,(H,14,15);3H2,1-2H3;1-2H3.
What are the key properties of ethane;4-[(4-methoxyphenyl)methylsulfanyl]-1H-pyridazin-6-one;propane?
ethane;4-[(4-methoxyphenyl)methylsulfanyl]-1H-pyridazin-6-one;propane has a molecular weight of 322.47 g/mol, XLogP of 4.51, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;4-[(4-methoxyphenyl)methylsulfanyl]-1H-pyridazin-6-one;propane is sourced from PubChem (CID 172614423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).