4,5-dichloro-2-[2-oxo-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethyl]pyridazin-3-one

C15H14Cl2N4O3S — CID 8520544

IUPAC4,5-dichloro-2-[2-oxo-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethyl]pyridazin-3-one
SMILESO=C(Cn1ncc(Cl)c(Cl)c1=O)N1CCN(C(=O)c2cccs2)CC1
InChIInChI=1S/C15H14Cl2N4O3S/c16-10-8-18-21(15(24)13(10)17)9-12(22)19-3-5-20(6-4-19)14(23)11-2-1-7-25-11/h1-2,7-8H,3-6,9H2
InChIKeyXGFIHUIKFFGCOH-UHFFFAOYSA-N
MW401.28 g/mol
LogP1.60
Rot. Bonds3

About 4,5-dichloro-2-[2-oxo-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethyl]pyridazin-3-one

4,5-dichloro-2-[2-oxo-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethyl]pyridazin-3-one (PubChem CID 8520544) has the molecular formula C15H14Cl2N4O3S and a molecular weight of 401.28 g/mol. Its IUPAC name is 4,5-dichloro-2-[2-oxo-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethyl]pyridazin-3-one.

Molecular Properties

Compound Name4,5-dichloro-2-[2-oxo-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethyl]pyridazin-3-one
PubChem CID8520544
Molecular FormulaC15H14Cl2N4O3S
Molecular Weight401.28 g/mol
Exact Mass400.02
IUPAC Name4,5-dichloro-2-[2-oxo-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethyl]pyridazin-3-one
SMILESO=C(Cn1ncc(Cl)c(Cl)c1=O)N1CCN(C(=O)c2cccs2)CC1
InChIInChI=1S/C15H14Cl2N4O3S/c16-10-8-18-21(15(24)13(10)17)9-12(22)19-3-5-20(6-4-19)14(23)11-2-1-7-25-11/h1-2,7-8H,3-6,9H2
InChIKeyXGFIHUIKFFGCOH-UHFFFAOYSA-N
XLogP1.60
TPSA75.51 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.28
LogP ≤ 51.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 4,5-dichloro-2-[2-oxo-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethyl]pyridazin-3-one with MolForge

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Related Compounds

4,5-dichloro-2-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl]pyridazin-3-one
CID 2585263
[4-[(4-chloropyrazol-1-yl)methyl]piperazin-1-yl]-thiophen-2-ylmethanone
CID 47446108
2-(4-chlorophenyl)-1-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethanone
CID 9022679
(2,3-dichlorophenyl)-[4-(thiophene-2-carbonyl)piperazin-1-yl]methanone
CID 18115100
1-[4-(thiophene-2-carbonyl)piperazin-1-yl]butan-1-one
CID 60651403
4-oxo-4-[4-(thiophene-2-carbonyl)piperazin-1-yl]butanoic acid
CID 28708467
2-(4,5-dichloro-6-oxopyridazin-1-yl)-N-[(1R)-1-thiophen-2-ylethyl]acetamide
CID 8862252
4-chloro-2-phenyl-5-[4-(thiophene-2-carbonyl)piperazin-1-yl]pyridazin-3-one
CID 2958911
2-[2-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)-2-oxoethyl]-4,5-dichloropyridazin-3-one
CID 18776705
2-[4-(3-chlorophenyl)piperazin-1-yl]-1-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethanone
CID 17414280
[4-(2,3-dichlorophenyl)piperazin-1-yl]-thiophen-2-ylmethanone
CID 113080481
1-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethanone
CID 60635968

Frequently Asked Questions

What is the IUPAC name of 4,5-dichloro-2-[2-oxo-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethyl]pyridazin-3-one?
The IUPAC name of 4,5-dichloro-2-[2-oxo-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethyl]pyridazin-3-one (CID 8520544) is 4,5-dichloro-2-[2-oxo-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethyl]pyridazin-3-one.
What is the SMILES notation for 4,5-dichloro-2-[2-oxo-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethyl]pyridazin-3-one?
The canonical SMILES for 4,5-dichloro-2-[2-oxo-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethyl]pyridazin-3-one is O=C(Cn1ncc(Cl)c(Cl)c1=O)N1CCN(C(=O)c2cccs2)CC1.
What is the InChIKey of 4,5-dichloro-2-[2-oxo-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethyl]pyridazin-3-one?
The InChIKey is XGFIHUIKFFGCOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14Cl2N4O3S/c16-10-8-18-21(15(24)13(10)17)9-12(22)19-3-5-20(6-4-19)14(23)11-2-1-7-25-11/h1-2,7-8H,3-6,9H2.
What are the key properties of 4,5-dichloro-2-[2-oxo-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethyl]pyridazin-3-one?
4,5-dichloro-2-[2-oxo-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethyl]pyridazin-3-one has a molecular weight of 401.28 g/mol, XLogP of 1.60, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dichloro-2-[2-oxo-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethyl]pyridazin-3-one is sourced from PubChem (CID 8520544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).