4-chloro-2-methyl-5-[(1-methylsulfonylpiperidin-3-yl)amino]pyridazin-3-one

C11H17ClN4O3S — CID 47406239

IUPAC4-chloro-2-methyl-5-[(1-methylsulfonylpiperidin-3-yl)amino]pyridazin-3-one
SMILESCn1ncc(NC2CCCN(S(C)(=O)=O)C2)c(Cl)c1=O
InChIInChI=1S/C11H17ClN4O3S/c1-15-11(17)10(12)9(6-13-15)14-8-4-3-5-16(7-8)20(2,18)19/h6,8,14H,3-5,7H2,1-2H3
InChIKeySEVZGFKFHRONAO-UHFFFAOYSA-N
MW320.80 g/mol
LogP0.27
Rot. Bonds3

About 4-chloro-2-methyl-5-[(1-methylsulfonylpiperidin-3-yl)amino]pyridazin-3-one

4-chloro-2-methyl-5-[(1-methylsulfonylpiperidin-3-yl)amino]pyridazin-3-one (PubChem CID 47406239) has the molecular formula C11H17ClN4O3S and a molecular weight of 320.80 g/mol. Its IUPAC name is 4-chloro-2-methyl-5-[(1-methylsulfonylpiperidin-3-yl)amino]pyridazin-3-one.

Molecular Properties

Compound Name4-chloro-2-methyl-5-[(1-methylsulfonylpiperidin-3-yl)amino]pyridazin-3-one
PubChem CID47406239
Molecular FormulaC11H17ClN4O3S
Molecular Weight320.80 g/mol
Exact Mass320.07
IUPAC Name4-chloro-2-methyl-5-[(1-methylsulfonylpiperidin-3-yl)amino]pyridazin-3-one
SMILESCn1ncc(NC2CCCN(S(C)(=O)=O)C2)c(Cl)c1=O
InChIInChI=1S/C11H17ClN4O3S/c1-15-11(17)10(12)9(6-13-15)14-8-4-3-5-16(7-8)20(2,18)19/h6,8,14H,3-5,7H2,1-2H3
InChIKeySEVZGFKFHRONAO-UHFFFAOYSA-N
XLogP0.27
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.80
LogP ≤ 50.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-chloro-2-methyl-5-[[(3R)-1-methylpiperidin-3-yl]amino]pyridazin-3-one
CID 158190785
4-chloro-5-(cyclopentylamino)-2-methylpyridazin-3-one
CID 33286886
4-chloro-2-methyl-5-[(1-methylazepan-4-yl)amino]pyridazin-3-one
CID 121476455
4-chloro-2-methyl-5-[(1-methylpiperidin-4-yl)amino]pyridazin-3-one
CID 113222223
4-chloro-5-[(1-cyclopropylpyrrolidin-3-yl)amino]-2-methylpyridazin-3-one
CID 115611041
5-(1-azabicyclo[2.2.2]octan-3-ylamino)-4-chloro-2-methylpyridazin-3-one
CID 114417743
4-chloro-5-[(1,1-dioxothian-3-yl)amino]-2-methylpyridazin-3-one
CID 115657637
4-chloro-5-[[1-(2-hydroxycyclohexyl)piperidin-4-yl]amino]-2-methylpyridazin-3-one
CID 133376432
4-chloro-2-methyl-5-(thiolan-3-ylamino)pyridazin-3-one
CID 103704352
4-chloro-5-[[(3R)-1-(2,6-difluorophenyl)pyrrolidin-3-yl]amino]-2-methylpyridazin-3-one
CID 97055677
4-chloro-2-methyl-5-[(2-methylcyclopentyl)amino]pyridazin-3-one
CID 115613233
4-chloro-5-[(2-hydroxycyclohexyl)amino]-2-methylpyridazin-3-one
CID 115611062

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-methyl-5-[(1-methylsulfonylpiperidin-3-yl)amino]pyridazin-3-one?
The IUPAC name of 4-chloro-2-methyl-5-[(1-methylsulfonylpiperidin-3-yl)amino]pyridazin-3-one (CID 47406239) is 4-chloro-2-methyl-5-[(1-methylsulfonylpiperidin-3-yl)amino]pyridazin-3-one.
What is the SMILES notation for 4-chloro-2-methyl-5-[(1-methylsulfonylpiperidin-3-yl)amino]pyridazin-3-one?
The canonical SMILES for 4-chloro-2-methyl-5-[(1-methylsulfonylpiperidin-3-yl)amino]pyridazin-3-one is Cn1ncc(NC2CCCN(S(C)(=O)=O)C2)c(Cl)c1=O.
What is the InChIKey of 4-chloro-2-methyl-5-[(1-methylsulfonylpiperidin-3-yl)amino]pyridazin-3-one?
The InChIKey is SEVZGFKFHRONAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17ClN4O3S/c1-15-11(17)10(12)9(6-13-15)14-8-4-3-5-16(7-8)20(2,18)19/h6,8,14H,3-5,7H2,1-2H3.
What are the key properties of 4-chloro-2-methyl-5-[(1-methylsulfonylpiperidin-3-yl)amino]pyridazin-3-one?
4-chloro-2-methyl-5-[(1-methylsulfonylpiperidin-3-yl)amino]pyridazin-3-one has a molecular weight of 320.80 g/mol, XLogP of 0.27, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-methyl-5-[(1-methylsulfonylpiperidin-3-yl)amino]pyridazin-3-one is sourced from PubChem (CID 47406239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).