4,5-dichloro-2-[2-[(3R)-3-methylpiperidin-1-yl]-2-oxoethyl]pyridazin-3-one

C12H15Cl2N3O2 — CID 95260207

IUPAC4,5-dichloro-2-[2-[(3R)-3-methylpiperidin-1-yl]-2-oxoethyl]pyridazin-3-one
SMILESC[C@@H]1CCCN(C(=O)Cn2ncc(Cl)c(Cl)c2=O)C1
InChIInChI=1S/C12H15Cl2N3O2/c1-8-3-2-4-16(6-8)10(18)7-17-12(19)11(14)9(13)5-15-17/h5,8H,2-4,6-7H2,1H3/t8-/m1/s1
InChIKeyMXVWJKMYRCGFLU-MRVPVSSYSA-N
MW304.18 g/mol
LogP1.81
Rot. Bonds2

About 4,5-dichloro-2-[2-[(3R)-3-methylpiperidin-1-yl]-2-oxoethyl]pyridazin-3-one

4,5-dichloro-2-[2-[(3R)-3-methylpiperidin-1-yl]-2-oxoethyl]pyridazin-3-one (PubChem CID 95260207) has the molecular formula C12H15Cl2N3O2 and a molecular weight of 304.18 g/mol. Its IUPAC name is 4,5-dichloro-2-[2-[(3R)-3-methylpiperidin-1-yl]-2-oxoethyl]pyridazin-3-one.

Molecular Properties

Compound Name4,5-dichloro-2-[2-[(3R)-3-methylpiperidin-1-yl]-2-oxoethyl]pyridazin-3-one
PubChem CID95260207
Molecular FormulaC12H15Cl2N3O2
Molecular Weight304.18 g/mol
Exact Mass303.05
IUPAC Name4,5-dichloro-2-[2-[(3R)-3-methylpiperidin-1-yl]-2-oxoethyl]pyridazin-3-one
SMILESC[C@@H]1CCCN(C(=O)Cn2ncc(Cl)c(Cl)c2=O)C1
InChIInChI=1S/C12H15Cl2N3O2/c1-8-3-2-4-16(6-8)10(18)7-17-12(19)11(14)9(13)5-15-17/h5,8H,2-4,6-7H2,1H3/t8-/m1/s1
InChIKeyMXVWJKMYRCGFLU-MRVPVSSYSA-N
XLogP1.81
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.18
LogP ≤ 51.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)-2-oxoethyl]-4,5-dichloropyridazin-3-one
CID 18776705
4,5-dichloro-2-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl]pyridazin-3-one
CID 2585263
7-ethyl-4-methyl-10-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]-3-oxa-7,10,11-triazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),4,11-tetraen-9-one
CID 110214257
7-ethyl-4-methyl-10-[2-[(3R)-3-methylpiperidin-1-yl]-2-oxoethyl]-3-oxa-7,10,11-triazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),4,11-tetraen-9-one
CID 95798027
2-[4-chloro-3-(difluoromethyl)-5-methylpyrazol-1-yl]-1-[(3S)-3-methylpiperidin-1-yl]ethanone
CID 51390178
1-[2-[(3R)-3-methylpiperidin-1-yl]-2-oxoethyl]-4-phenyltetrazol-5-one
CID 9379927
4,5-dichloro-2-[2-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]pyridazin-3-one
CID 2093925
N-butan-2-yl-2-(4,5-dichloro-6-oxopyridazin-1-yl)acetamide
CID 18776930
N-[(2S)-butan-2-yl]-2-(4,5-dichloro-6-oxopyridazin-1-yl)acetamide
CID 2585062
4,5-dichloro-2-[2-oxo-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethyl]pyridazin-3-one
CID 8520544
2-(4,5-dichloro-6-oxopyridazin-1-yl)-N-[1-(dimethylsulfamoyl)piperidin-3-yl]acetamide
CID 162727148
2-(4H-chromeno[3,4-d]pyrazol-1-yl)-1-(3-methylpiperidin-1-yl)ethanone
CID 20880024

Frequently Asked Questions

What is the IUPAC name of 4,5-dichloro-2-[2-[(3R)-3-methylpiperidin-1-yl]-2-oxoethyl]pyridazin-3-one?
The IUPAC name of 4,5-dichloro-2-[2-[(3R)-3-methylpiperidin-1-yl]-2-oxoethyl]pyridazin-3-one (CID 95260207) is 4,5-dichloro-2-[2-[(3R)-3-methylpiperidin-1-yl]-2-oxoethyl]pyridazin-3-one.
What is the SMILES notation for 4,5-dichloro-2-[2-[(3R)-3-methylpiperidin-1-yl]-2-oxoethyl]pyridazin-3-one?
The canonical SMILES for 4,5-dichloro-2-[2-[(3R)-3-methylpiperidin-1-yl]-2-oxoethyl]pyridazin-3-one is C[C@@H]1CCCN(C(=O)Cn2ncc(Cl)c(Cl)c2=O)C1.
What is the InChIKey of 4,5-dichloro-2-[2-[(3R)-3-methylpiperidin-1-yl]-2-oxoethyl]pyridazin-3-one?
The InChIKey is MXVWJKMYRCGFLU-MRVPVSSYSA-N. The full InChI is InChI=1S/C12H15Cl2N3O2/c1-8-3-2-4-16(6-8)10(18)7-17-12(19)11(14)9(13)5-15-17/h5,8H,2-4,6-7H2,1H3/t8-/m1/s1.
What are the key properties of 4,5-dichloro-2-[2-[(3R)-3-methylpiperidin-1-yl]-2-oxoethyl]pyridazin-3-one?
4,5-dichloro-2-[2-[(3R)-3-methylpiperidin-1-yl]-2-oxoethyl]pyridazin-3-one has a molecular weight of 304.18 g/mol, XLogP of 1.81, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dichloro-2-[2-[(3R)-3-methylpiperidin-1-yl]-2-oxoethyl]pyridazin-3-one is sourced from PubChem (CID 95260207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).