1-(6-chloropyridazin-3-yl)-4-methylsulfonylpiperazin-2-one

C9H11ClN4O3S — CID 134788463

IUPAC1-(6-chloropyridazin-3-yl)-4-methylsulfonylpiperazin-2-one
SMILESCS(=O)(=O)N1CCN(c2ccc(Cl)nn2)C(=O)C1
InChIInChI=1S/C9H11ClN4O3S/c1-18(16,17)13-4-5-14(9(15)6-13)8-3-2-7(10)11-12-8/h2-3H,4-6H2,1H3
InChIKeyYHEMCZPZIQRRFF-UHFFFAOYSA-N
MW290.73 g/mol
LogP-0.26
Rot. Bonds2

About 1-(6-chloropyridazin-3-yl)-4-methylsulfonylpiperazin-2-one

1-(6-chloropyridazin-3-yl)-4-methylsulfonylpiperazin-2-one (PubChem CID 134788463) has the molecular formula C9H11ClN4O3S and a molecular weight of 290.73 g/mol. Its IUPAC name is 1-(6-chloropyridazin-3-yl)-4-methylsulfonylpiperazin-2-one.

Molecular Properties

Compound Name1-(6-chloropyridazin-3-yl)-4-methylsulfonylpiperazin-2-one
PubChem CID134788463
Molecular FormulaC9H11ClN4O3S
Molecular Weight290.73 g/mol
Exact Mass290.02
IUPAC Name1-(6-chloropyridazin-3-yl)-4-methylsulfonylpiperazin-2-one
SMILESCS(=O)(=O)N1CCN(c2ccc(Cl)nn2)C(=O)C1
InChIInChI=1S/C9H11ClN4O3S/c1-18(16,17)13-4-5-14(9(15)6-13)8-3-2-7(10)11-12-8/h2-3H,4-6H2,1H3
InChIKeyYHEMCZPZIQRRFF-UHFFFAOYSA-N
XLogP-0.26
TPSA83.47 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.73
LogP ≤ 5-0.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(6-chloropyridazin-3-yl)-4-methylsulfonylpiperazin-2-one?
The IUPAC name of 1-(6-chloropyridazin-3-yl)-4-methylsulfonylpiperazin-2-one (CID 134788463) is 1-(6-chloropyridazin-3-yl)-4-methylsulfonylpiperazin-2-one.
What is the SMILES notation for 1-(6-chloropyridazin-3-yl)-4-methylsulfonylpiperazin-2-one?
The canonical SMILES for 1-(6-chloropyridazin-3-yl)-4-methylsulfonylpiperazin-2-one is CS(=O)(=O)N1CCN(c2ccc(Cl)nn2)C(=O)C1.
What is the InChIKey of 1-(6-chloropyridazin-3-yl)-4-methylsulfonylpiperazin-2-one?
The InChIKey is YHEMCZPZIQRRFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11ClN4O3S/c1-18(16,17)13-4-5-14(9(15)6-13)8-3-2-7(10)11-12-8/h2-3H,4-6H2,1H3.
What are the key properties of 1-(6-chloropyridazin-3-yl)-4-methylsulfonylpiperazin-2-one?
1-(6-chloropyridazin-3-yl)-4-methylsulfonylpiperazin-2-one has a molecular weight of 290.73 g/mol, XLogP of -0.26, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-chloropyridazin-3-yl)-4-methylsulfonylpiperazin-2-one is sourced from PubChem (CID 134788463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).