N-butyl-2-(4,5-dichloro-6-oxopyridazin-1-yl)acetamide

C10H13Cl2N3O2 — CID 2082544

IUPACN-butyl-2-(4,5-dichloro-6-oxopyridazin-1-yl)acetamide
SMILESCCCCNC(=O)Cn1ncc(Cl)c(Cl)c1=O
InChIInChI=1S/C10H13Cl2N3O2/c1-2-3-4-13-8(16)6-15-10(17)9(12)7(11)5-14-15/h5H,2-4,6H2,1H3,(H,13,16)
InChIKeyLRUAONGUZQWNRM-UHFFFAOYSA-N
MW278.14 g/mol
LogP1.47
Rot. Bonds5

About N-butyl-2-(4,5-dichloro-6-oxopyridazin-1-yl)acetamide

N-butyl-2-(4,5-dichloro-6-oxopyridazin-1-yl)acetamide (PubChem CID 2082544) has the molecular formula C10H13Cl2N3O2 and a molecular weight of 278.14 g/mol. Its IUPAC name is N-butyl-2-(4,5-dichloro-6-oxopyridazin-1-yl)acetamide.

Molecular Properties

Compound NameN-butyl-2-(4,5-dichloro-6-oxopyridazin-1-yl)acetamide
PubChem CID2082544
Molecular FormulaC10H13Cl2N3O2
Molecular Weight278.14 g/mol
Exact Mass277.04
IUPAC NameN-butyl-2-(4,5-dichloro-6-oxopyridazin-1-yl)acetamide
SMILESCCCCNC(=O)Cn1ncc(Cl)c(Cl)c1=O
InChIInChI=1S/C10H13Cl2N3O2/c1-2-3-4-13-8(16)6-15-10(17)9(12)7(11)5-14-15/h5H,2-4,6H2,1H3,(H,13,16)
InChIKeyLRUAONGUZQWNRM-UHFFFAOYSA-N
XLogP1.47
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.14
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-butyl-2-(4,5-dichloro-6-oxopyridazin-1-yl)acetamide?
The IUPAC name of N-butyl-2-(4,5-dichloro-6-oxopyridazin-1-yl)acetamide (CID 2082544) is N-butyl-2-(4,5-dichloro-6-oxopyridazin-1-yl)acetamide.
What is the SMILES notation for N-butyl-2-(4,5-dichloro-6-oxopyridazin-1-yl)acetamide?
The canonical SMILES for N-butyl-2-(4,5-dichloro-6-oxopyridazin-1-yl)acetamide is CCCCNC(=O)Cn1ncc(Cl)c(Cl)c1=O.
What is the InChIKey of N-butyl-2-(4,5-dichloro-6-oxopyridazin-1-yl)acetamide?
The InChIKey is LRUAONGUZQWNRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13Cl2N3O2/c1-2-3-4-13-8(16)6-15-10(17)9(12)7(11)5-14-15/h5H,2-4,6H2,1H3,(H,13,16).
What are the key properties of N-butyl-2-(4,5-dichloro-6-oxopyridazin-1-yl)acetamide?
N-butyl-2-(4,5-dichloro-6-oxopyridazin-1-yl)acetamide has a molecular weight of 278.14 g/mol, XLogP of 1.47, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-2-(4,5-dichloro-6-oxopyridazin-1-yl)acetamide is sourced from PubChem (CID 2082544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).