N-[(2S)-butan-2-yl]-2-(4,5-dichloro-6-oxopyridazin-1-yl)acetamide

C10H13Cl2N3O2 — CID 2585062

IUPACN-[(2S)-butan-2-yl]-2-(4,5-dichloro-6-oxopyridazin-1-yl)acetamide
SMILESCC[C@H](C)NC(=O)Cn1ncc(Cl)c(Cl)c1=O
InChIInChI=1S/C10H13Cl2N3O2/c1-3-6(2)14-8(16)5-15-10(17)9(12)7(11)4-13-15/h4,6H,3,5H2,1-2H3,(H,14,16)/t6-/m0/s1
InChIKeyBZPZRHIAAFKVJO-LURJTMIESA-N
MW278.14 g/mol
LogP1.46
Rot. Bonds4

About N-[(2S)-butan-2-yl]-2-(4,5-dichloro-6-oxopyridazin-1-yl)acetamide

N-[(2S)-butan-2-yl]-2-(4,5-dichloro-6-oxopyridazin-1-yl)acetamide (PubChem CID 2585062) has the molecular formula C10H13Cl2N3O2 and a molecular weight of 278.14 g/mol. Its IUPAC name is N-[(2S)-butan-2-yl]-2-(4,5-dichloro-6-oxopyridazin-1-yl)acetamide.

Molecular Properties

Compound NameN-[(2S)-butan-2-yl]-2-(4,5-dichloro-6-oxopyridazin-1-yl)acetamide
PubChem CID2585062
Molecular FormulaC10H13Cl2N3O2
Molecular Weight278.14 g/mol
Exact Mass277.04
IUPAC NameN-[(2S)-butan-2-yl]-2-(4,5-dichloro-6-oxopyridazin-1-yl)acetamide
SMILESCC[C@H](C)NC(=O)Cn1ncc(Cl)c(Cl)c1=O
InChIInChI=1S/C10H13Cl2N3O2/c1-3-6(2)14-8(16)5-15-10(17)9(12)7(11)4-13-15/h4,6H,3,5H2,1-2H3,(H,14,16)/t6-/m0/s1
InChIKeyBZPZRHIAAFKVJO-LURJTMIESA-N
XLogP1.46
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.14
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-butan-2-yl-2-(4,5-dichloro-6-oxopyridazin-1-yl)acetamide
CID 18776930
2-(4,5-dichloro-6-oxopyridazin-1-yl)-N-(6-methylheptan-2-yl)acetamide
CID 46605787
2-[[2-(4,5-dichloro-6-oxopyridazin-1-yl)acetyl]amino]-N-propan-2-ylacetamide
CID 9492221
2-(4,5-dichloro-6-oxopyridazin-1-yl)-N-[(1R)-1-phenylethyl]acetamide
CID 2701052
2-(4,5-dichloro-6-oxopyridazin-1-yl)-N-[(1R)-1-(4-methylphenyl)propyl]acetamide
CID 8862090
2-(4,5-dichloro-6-oxopyridazin-1-yl)-N-[(1R)-1-(4-fluorophenyl)ethyl]acetamide
CID 2585112
2-(4,5-dichloro-6-oxopyridazin-1-yl)-N-[(1S)-1-thiophen-2-ylethyl]acetamide
CID 8862244
2-(4,5-dichloro-6-oxopyridazin-1-yl)-N-[(1R)-1-thiophen-2-ylethyl]acetamide
CID 8862252
2-(4,5-dichloro-6-oxopyridazin-1-yl)-N-[(1S)-1-(3,4-dimethylphenyl)ethyl]acetamide
CID 7844572
N-[(2S)-butan-2-yl]-2-(1-oxophthalazin-2-yl)acetamide
CID 9369028
2-(4,5-dichloro-6-oxopyridazin-1-yl)-N-methyl-N-propan-2-ylacetamide
CID 115573232
2-(4,5-dichloro-6-oxopyridazin-1-yl)-N-(4-methyl-3-pentan-3-ylsulfanylphenyl)acetamide
CID 162727130

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-butan-2-yl]-2-(4,5-dichloro-6-oxopyridazin-1-yl)acetamide?
The IUPAC name of N-[(2S)-butan-2-yl]-2-(4,5-dichloro-6-oxopyridazin-1-yl)acetamide (CID 2585062) is N-[(2S)-butan-2-yl]-2-(4,5-dichloro-6-oxopyridazin-1-yl)acetamide.
What is the SMILES notation for N-[(2S)-butan-2-yl]-2-(4,5-dichloro-6-oxopyridazin-1-yl)acetamide?
The canonical SMILES for N-[(2S)-butan-2-yl]-2-(4,5-dichloro-6-oxopyridazin-1-yl)acetamide is CC[C@H](C)NC(=O)Cn1ncc(Cl)c(Cl)c1=O.
What is the InChIKey of N-[(2S)-butan-2-yl]-2-(4,5-dichloro-6-oxopyridazin-1-yl)acetamide?
The InChIKey is BZPZRHIAAFKVJO-LURJTMIESA-N. The full InChI is InChI=1S/C10H13Cl2N3O2/c1-3-6(2)14-8(16)5-15-10(17)9(12)7(11)4-13-15/h4,6H,3,5H2,1-2H3,(H,14,16)/t6-/m0/s1.
What are the key properties of N-[(2S)-butan-2-yl]-2-(4,5-dichloro-6-oxopyridazin-1-yl)acetamide?
N-[(2S)-butan-2-yl]-2-(4,5-dichloro-6-oxopyridazin-1-yl)acetamide has a molecular weight of 278.14 g/mol, XLogP of 1.46, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-butan-2-yl]-2-(4,5-dichloro-6-oxopyridazin-1-yl)acetamide is sourced from PubChem (CID 2585062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).