4-chloro-2-methyl-5-[(3S)-3-methylpiperidin-1-yl]pyridazin-3-one

C11H16ClN3O — CID 33286693

IUPAC4-chloro-2-methyl-5-[(3S)-3-methylpiperidin-1-yl]pyridazin-3-one
SMILESC[C@H]1CCCN(c2cnn(C)c(=O)c2Cl)C1
InChIInChI=1S/C11H16ClN3O/c1-8-4-3-5-15(7-8)9-6-13-14(2)11(16)10(9)12/h6,8H,3-5,7H2,1-2H3/t8-/m0/s1
InChIKeyNGTRVWOLWKKGQF-QMMMGPOBSA-N
MW241.72 g/mol
LogP1.67
Rot. Bonds1

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

4-chloro-2-methyl-5-[(3S)-3-methylpiperidin-1-yl]pyridazin-3-one (PubChem CID 33286693) has the molecular formula C11H16ClN3O and a molecular weight of 241.72 g/mol. Its IUPAC name is 4-chloro-2-methyl-5-[(3S)-3-methylpiperidin-1-yl]pyridazin-3-one.

Molecular Properties

Compound Name4-chloro-2-methyl-5-[(3S)-3-methylpiperidin-1-yl]pyridazin-3-one
PubChem CID33286693
Molecular FormulaC11H16ClN3O
Molecular Weight241.72 g/mol
Exact Mass241.10
IUPAC Name4-chloro-2-methyl-5-[(3S)-3-methylpiperidin-1-yl]pyridazin-3-one
SMILESC[C@H]1CCCN(c2cnn(C)c(=O)c2Cl)C1
InChIInChI=1S/C11H16ClN3O/c1-8-4-3-5-15(7-8)9-6-13-14(2)11(16)10(9)12/h6,8H,3-5,7H2,1-2H3/t8-/m0/s1
InChIKeyNGTRVWOLWKKGQF-QMMMGPOBSA-N
XLogP1.67
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.72
LogP ≤ 51.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(5-chloro-1-methyl-6-oxopyridazin-4-yl)piperidin-3-yl]methanesulfonamide
CID 75419601
4-chloro-5-[(3S)-3-(hydroxymethyl)pyrrolidin-1-yl]-2-methylpyridazin-3-one
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5-[(3S)-3-anilinopiperidin-1-yl]-4-chloro-2-methylpyridazin-3-one
CID 97226291
5-[3-(1-aminoethyl)pyrrolidin-1-yl]-4-chloro-2-methylpyridazin-3-one
CID 114447140
4-chloro-2-methyl-5-(4-methylpiperazin-1-yl)pyridazin-3-one
CID 17088020
4-chloro-2-methyl-5-[3-(phenoxymethyl)piperidin-1-yl]pyridazin-3-one
CID 133308219
4-chloro-5-[4-(hydroxymethyl)piperidin-1-yl]-2-methylpyridazin-3-one
CID 47281084
4-chloro-2-methyl-5-(4-propyl-1,4-diazepan-1-yl)pyridazin-3-one
CID 133314325
4-chloro-5-[6-(1-cyclopropyl-2-oxopyrrolidin-3-yl)-3,6-diazabicyclo[3.1.1]heptan-3-yl]-2-methylpyridazin-3-one
CID 172905838
4-chloro-5-[4-(1-cyclopropyl-2-oxopyrrolidin-3-yl)piperazin-1-yl]-2-methylpyridazin-3-one
CID 172904721
4-chloro-5-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-2-methylpyridazin-3-one
CID 14910722
5-[3-(aminomethyl)piperidin-1-yl]-4-chloro-2-propylpyridazin-3-one
CID 114444360

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-methyl-5-[(3S)-3-methylpiperidin-1-yl]pyridazin-3-one?
The IUPAC name of 4-chloro-2-methyl-5-[(3S)-3-methylpiperidin-1-yl]pyridazin-3-one (CID 33286693) is 4-chloro-2-methyl-5-[(3S)-3-methylpiperidin-1-yl]pyridazin-3-one.
What is the SMILES notation for 4-chloro-2-methyl-5-[(3S)-3-methylpiperidin-1-yl]pyridazin-3-one?
The canonical SMILES for 4-chloro-2-methyl-5-[(3S)-3-methylpiperidin-1-yl]pyridazin-3-one is C[C@H]1CCCN(c2cnn(C)c(=O)c2Cl)C1.
What is the InChIKey of 4-chloro-2-methyl-5-[(3S)-3-methylpiperidin-1-yl]pyridazin-3-one?
The InChIKey is NGTRVWOLWKKGQF-QMMMGPOBSA-N. The full InChI is InChI=1S/C11H16ClN3O/c1-8-4-3-5-15(7-8)9-6-13-14(2)11(16)10(9)12/h6,8H,3-5,7H2,1-2H3/t8-/m0/s1.
What are the key properties of 4-chloro-2-methyl-5-[(3S)-3-methylpiperidin-1-yl]pyridazin-3-one?
4-chloro-2-methyl-5-[(3S)-3-methylpiperidin-1-yl]pyridazin-3-one has a molecular weight of 241.72 g/mol, XLogP of 1.67, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-methyl-5-[(3S)-3-methylpiperidin-1-yl]pyridazin-3-one is sourced from PubChem (CID 33286693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).