2-benzyl-5-chloro-4-methylsulfanylpyridazin-3-one

C12H11ClN2OS — CID 53475520

IUPAC2-benzyl-5-chloro-4-methylsulfanylpyridazin-3-one
SMILESCSc1c(Cl)cnn(Cc2ccccc2)c1=O
InChIInChI=1S/C12H11ClN2OS/c1-17-11-10(13)7-14-15(12(11)16)8-9-5-3-2-4-6-9/h2-7H,8H2,1H3
InChIKeyWOTMGXKARFVHPN-UHFFFAOYSA-N
MW266.75 g/mol
LogP2.67
Rot. Bonds3

About 2-benzyl-5-chloro-4-methylsulfanylpyridazin-3-one

2-benzyl-5-chloro-4-methylsulfanylpyridazin-3-one (PubChem CID 53475520) has the molecular formula C12H11ClN2OS and a molecular weight of 266.75 g/mol. Its IUPAC name is 2-benzyl-5-chloro-4-methylsulfanylpyridazin-3-one.

Molecular Properties

Compound Name2-benzyl-5-chloro-4-methylsulfanylpyridazin-3-one
PubChem CID53475520
Molecular FormulaC12H11ClN2OS
Molecular Weight266.75 g/mol
Exact Mass266.03
IUPAC Name2-benzyl-5-chloro-4-methylsulfanylpyridazin-3-one
SMILESCSc1c(Cl)cnn(Cc2ccccc2)c1=O
InChIInChI=1S/C12H11ClN2OS/c1-17-11-10(13)7-14-15(12(11)16)8-9-5-3-2-4-6-9/h2-7H,8H2,1H3
InChIKeyWOTMGXKARFVHPN-UHFFFAOYSA-N
XLogP2.67
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.75
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-benzylsulfanyl-5-chloro-2-methylpyridazin-3-one
CID 10492018
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CID 53475592
2-benzyl-4-benzylsulfanyl-5-methoxypyridazin-3-one
CID 851026
2-benzyl-4-chloro-5-methoxypyridazin-3-one
CID 737015
2-benzyl-5-(1-benzyl-5-chloro-6-oxopyridazin-4-yl)oxy-4-chloropyridazin-3-one
CID 11465223
4,5-diamino-2-benzylpyridazin-3-one
CID 820673
1-benzyl-5-methylsulfanylpyrazole
CID 15683216
2-benzyl-4-[benzyl(3-hydroxypropyl)amino]-5-chloropyridazin-3-one
CID 67917856
1-benzyl-6-chloro-5-methylpyrazolo[5,4-d]pyrimidin-4-one
CID 10731071
2-benzyl-5-(hydroxymethyl)-4-methylpyridazin-3-one
CID 169129055
2-benzyl-4-chloro-5-(3-methylbutan-2-ylamino)pyridazin-3-one
CID 55346837
5-amino-2-benzyl-4-bromopyridazin-3-one
CID 125494178

Frequently Asked Questions

What is the IUPAC name of 2-benzyl-5-chloro-4-methylsulfanylpyridazin-3-one?
The IUPAC name of 2-benzyl-5-chloro-4-methylsulfanylpyridazin-3-one (CID 53475520) is 2-benzyl-5-chloro-4-methylsulfanylpyridazin-3-one.
What is the SMILES notation for 2-benzyl-5-chloro-4-methylsulfanylpyridazin-3-one?
The canonical SMILES for 2-benzyl-5-chloro-4-methylsulfanylpyridazin-3-one is CSc1c(Cl)cnn(Cc2ccccc2)c1=O.
What is the InChIKey of 2-benzyl-5-chloro-4-methylsulfanylpyridazin-3-one?
The InChIKey is WOTMGXKARFVHPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClN2OS/c1-17-11-10(13)7-14-15(12(11)16)8-9-5-3-2-4-6-9/h2-7H,8H2,1H3.
What are the key properties of 2-benzyl-5-chloro-4-methylsulfanylpyridazin-3-one?
2-benzyl-5-chloro-4-methylsulfanylpyridazin-3-one has a molecular weight of 266.75 g/mol, XLogP of 2.67, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-5-chloro-4-methylsulfanylpyridazin-3-one is sourced from PubChem (CID 53475520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).