4-methoxy-2-phenyl-5-sulfanylpyridazin-3-one

C11H10N2O2S — CID 10944372

IUPAC4-methoxy-2-phenyl-5-sulfanylpyridazin-3-one
SMILESCOc1c(S)cnn(-c2ccccc2)c1=O
InChIInChI=1S/C11H10N2O2S/c1-15-10-9(16)7-12-13(11(10)14)8-5-3-2-4-6-8/h2-7,16H,1H3
InChIKeyYEMHDKPQEKFRKW-UHFFFAOYSA-N
MW234.28 g/mol
LogP1.53
Rot. Bonds2

About 4-methoxy-2-phenyl-5-sulfanylpyridazin-3-one

4-methoxy-2-phenyl-5-sulfanylpyridazin-3-one (PubChem CID 10944372) has the molecular formula C11H10N2O2S and a molecular weight of 234.28 g/mol. Its IUPAC name is 4-methoxy-2-phenyl-5-sulfanylpyridazin-3-one.

Molecular Properties

Compound Name4-methoxy-2-phenyl-5-sulfanylpyridazin-3-one
PubChem CID10944372
Molecular FormulaC11H10N2O2S
Molecular Weight234.28 g/mol
Exact Mass234.05
IUPAC Name4-methoxy-2-phenyl-5-sulfanylpyridazin-3-one
SMILESCOc1c(S)cnn(-c2ccccc2)c1=O
InChIInChI=1S/C11H10N2O2S/c1-15-10-9(16)7-12-13(11(10)14)8-5-3-2-4-6-8/h2-7,16H,1H3
InChIKeyYEMHDKPQEKFRKW-UHFFFAOYSA-N
XLogP1.53
TPSA44.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.28
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

2-(3-benzylsulfanylphenyl)-4,5-dimethoxypyridazin-3-one
CID 13370272
5-chloro-4-(4-methoxyphenoxy)-2-(4-methoxyphenyl)pyridazin-3-one
CID 50904469
6-phenylpyrido[2,3-d]pyridazin-5-one
CID 102495888
5-methoxy-1-phenylpyrazole-4-carbaldehyde
CID 131583769
4-methoxy-1-methyl-3-(2-phenylpyrazol-3-yl)quinolin-2-one
CID 86093500
5-chloro-4-methoxy-1-phenylpyrazole
CID 117232898
10,16-dimethoxy-3-phenyl-8,12-dioxa-3,4-diazatetracyclo[7.7.0.02,6.011,15]hexadeca-1(16),2(6),4,9,11(15),13-hexaen-7-one
CID 177473990
5-(4-methoxyphenyl)-1,6-diphenylpyrazolo[5,4-d]pyrimidin-4-one
CID 67281727
2-(3,5-dichlorophenyl)-4,5-dimethoxypyridazin-3-one
CID 86105894
4-amino-5-(dimethylamino)-2-phenylpyridazin-3-one;hydrochloride
CID 2842592
5-chloro-2-(3-chlorophenyl)-4-(4-methoxyphenoxy)pyridazin-3-one
CID 46846317
3,4,5-trimethoxy-N-(4-methyl-1-phenylpyrazol-5-yl)benzamide
CID 75468504

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-2-phenyl-5-sulfanylpyridazin-3-one?
The IUPAC name of 4-methoxy-2-phenyl-5-sulfanylpyridazin-3-one (CID 10944372) is 4-methoxy-2-phenyl-5-sulfanylpyridazin-3-one.
What is the SMILES notation for 4-methoxy-2-phenyl-5-sulfanylpyridazin-3-one?
The canonical SMILES for 4-methoxy-2-phenyl-5-sulfanylpyridazin-3-one is COc1c(S)cnn(-c2ccccc2)c1=O.
What is the InChIKey of 4-methoxy-2-phenyl-5-sulfanylpyridazin-3-one?
The InChIKey is YEMHDKPQEKFRKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2O2S/c1-15-10-9(16)7-12-13(11(10)14)8-5-3-2-4-6-8/h2-7,16H,1H3.
What are the key properties of 4-methoxy-2-phenyl-5-sulfanylpyridazin-3-one?
4-methoxy-2-phenyl-5-sulfanylpyridazin-3-one has a molecular weight of 234.28 g/mol, XLogP of 1.53, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-2-phenyl-5-sulfanylpyridazin-3-one is sourced from PubChem (CID 10944372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).