N-cyclopropyl-2-(4,5-dichloro-6-oxopyridazin-1-yl)-N-[(3R)-1,1-dioxothiolan-3-yl]acetamide

C13H15Cl2N3O4S — CID 7701748

IUPACN-cyclopropyl-2-(4,5-dichloro-6-oxopyridazin-1-yl)-N-[(3R)-1,1-dioxothiolan-3-yl]acetamide
SMILESO=C(Cn1ncc(Cl)c(Cl)c1=O)N(C1CC1)[C@@H]1CCS(=O)(=O)C1
InChIInChI=1S/C13H15Cl2N3O4S/c14-10-5-16-17(13(20)12(10)15)6-11(19)18(8-1-2-8)9-3-4-23(21,22)7-9/h5,8-9H,1-4,6-7H2/t9-/m1/s1
InChIKeyCNFPLCSPLYWGCC-SECBINFHSA-N
MW380.25 g/mol
LogP0.73
Rot. Bonds4

About N-cyclopropyl-2-(4,5-dichloro-6-oxopyridazin-1-yl)-N-[(3R)-1,1-dioxothiolan-3-yl]acetamide

N-cyclopropyl-2-(4,5-dichloro-6-oxopyridazin-1-yl)-N-[(3R)-1,1-dioxothiolan-3-yl]acetamide (PubChem CID 7701748) has the molecular formula C13H15Cl2N3O4S and a molecular weight of 380.25 g/mol. Its IUPAC name is N-cyclopropyl-2-(4,5-dichloro-6-oxopyridazin-1-yl)-N-[(3R)-1,1-dioxothiolan-3-yl]acetamide.

Molecular Properties

Compound NameN-cyclopropyl-2-(4,5-dichloro-6-oxopyridazin-1-yl)-N-[(3R)-1,1-dioxothiolan-3-yl]acetamide
PubChem CID7701748
Molecular FormulaC13H15Cl2N3O4S
Molecular Weight380.25 g/mol
Exact Mass379.02
IUPAC NameN-cyclopropyl-2-(4,5-dichloro-6-oxopyridazin-1-yl)-N-[(3R)-1,1-dioxothiolan-3-yl]acetamide
SMILESO=C(Cn1ncc(Cl)c(Cl)c1=O)N(C1CC1)[C@@H]1CCS(=O)(=O)C1
InChIInChI=1S/C13H15Cl2N3O4S/c14-10-5-16-17(13(20)12(10)15)6-11(19)18(8-1-2-8)9-3-4-23(21,22)7-9/h5,8-9H,1-4,6-7H2/t9-/m1/s1
InChIKeyCNFPLCSPLYWGCC-SECBINFHSA-N
XLogP0.73
TPSA89.34 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.25
LogP ≤ 50.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-(4,5-dichloro-6-oxopyridazin-1-yl)-N-[(3R)-1,1-dioxothiolan-3-yl]-N-(2-methylpropyl)acetamide
CID 7613401
N-[(2S)-butan-2-yl]-2-(4,5-dichloro-6-oxopyridazin-1-yl)-N-[(3S)-1,1-dioxothiolan-3-yl]acetamide
CID 7802151
N-cyclopentyl-N-[(3S)-1,1-dioxothiolan-3-yl]-2-(1-oxophthalazin-2-yl)acetamide
CID 36545692
N-cyclopropyl-N-(1,1-dioxothiolan-3-yl)-2-(5-oxo-4-thiophen-2-yltetrazol-1-yl)acetamide
CID 43037168
N-cyclopropyl-2-(1,3-dioxoisoindol-2-yl)-N-[(3R)-1,1-dioxothiolan-3-yl]acetamide
CID 7697526
2-[(4R)-4-(2-chlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-cyclopropyl-N-[(3S)-1,1-dioxothiolan-3-yl]acetamide
CID 40972934
N-cyclopropyl-N-[(3S)-1,1-dioxothiolan-3-yl]-2-(4-oxo-1-phenylpyrazolo[5,4-d]pyrimidin-5-yl)acetamide
CID 41210926
N-cyclopropyl-2-(4,5-dichloro-6-oxopyridazin-1-yl)-N-[(4-methoxyphenyl)methyl]acetamide
CID 9492189
2-(2-chloro-6-oxo-1-pyridinyl)-N-cyclopentyl-N-(1,1-dioxothiolan-3-yl)acetamide
CID 75426289
2-(7-chloro-4-oxoquinazolin-3-yl)-N-cyclopentyl-N-(1,1-dioxothiolan-3-yl)acetamide
CID 42922496
N-cyclopropyl-N-[(3R)-1,1-dioxothiolan-3-yl]-2-(2,4,5-trichlorophenoxy)acetamide
CID 7701312
N-cyclopropyl-N-(1,1-dioxothiolan-3-yl)-2-(9-oxoacridin-10-yl)acetamide
CID 55501447

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-(4,5-dichloro-6-oxopyridazin-1-yl)-N-[(3R)-1,1-dioxothiolan-3-yl]acetamide?
The IUPAC name of N-cyclopropyl-2-(4,5-dichloro-6-oxopyridazin-1-yl)-N-[(3R)-1,1-dioxothiolan-3-yl]acetamide (CID 7701748) is N-cyclopropyl-2-(4,5-dichloro-6-oxopyridazin-1-yl)-N-[(3R)-1,1-dioxothiolan-3-yl]acetamide.
What is the SMILES notation for N-cyclopropyl-2-(4,5-dichloro-6-oxopyridazin-1-yl)-N-[(3R)-1,1-dioxothiolan-3-yl]acetamide?
The canonical SMILES for N-cyclopropyl-2-(4,5-dichloro-6-oxopyridazin-1-yl)-N-[(3R)-1,1-dioxothiolan-3-yl]acetamide is O=C(Cn1ncc(Cl)c(Cl)c1=O)N(C1CC1)[C@@H]1CCS(=O)(=O)C1.
What is the InChIKey of N-cyclopropyl-2-(4,5-dichloro-6-oxopyridazin-1-yl)-N-[(3R)-1,1-dioxothiolan-3-yl]acetamide?
The InChIKey is CNFPLCSPLYWGCC-SECBINFHSA-N. The full InChI is InChI=1S/C13H15Cl2N3O4S/c14-10-5-16-17(13(20)12(10)15)6-11(19)18(8-1-2-8)9-3-4-23(21,22)7-9/h5,8-9H,1-4,6-7H2/t9-/m1/s1.
What are the key properties of N-cyclopropyl-2-(4,5-dichloro-6-oxopyridazin-1-yl)-N-[(3R)-1,1-dioxothiolan-3-yl]acetamide?
N-cyclopropyl-2-(4,5-dichloro-6-oxopyridazin-1-yl)-N-[(3R)-1,1-dioxothiolan-3-yl]acetamide has a molecular weight of 380.25 g/mol, XLogP of 0.73, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-(4,5-dichloro-6-oxopyridazin-1-yl)-N-[(3R)-1,1-dioxothiolan-3-yl]acetamide is sourced from PubChem (CID 7701748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).