2-chloro-N-[5-chloro-1-(4-hydroxybutyl)-6-oxopyridazin-4-yl]acetamide

C10H13Cl2N3O3 — CID 11779192

IUPAC2-chloro-N-[5-chloro-1-(4-hydroxybutyl)-6-oxopyridazin-4-yl]acetamide
SMILESO=C(CCl)Nc1cnn(CCCCO)c(=O)c1Cl
InChIInChI=1S/C10H13Cl2N3O3/c11-5-8(17)14-7-6-13-15(3-1-2-4-16)10(18)9(7)12/h6,16H,1-5H2,(H,14,17)
InChIKeySRRHPSHJXRKHFX-UHFFFAOYSA-N
MW294.14 g/mol
LogP0.85
Rot. Bonds6

About 2-chloro-N-[5-chloro-1-(4-hydroxybutyl)-6-oxopyridazin-4-yl]acetamide

2-chloro-N-[5-chloro-1-(4-hydroxybutyl)-6-oxopyridazin-4-yl]acetamide (PubChem CID 11779192) has the molecular formula C10H13Cl2N3O3 and a molecular weight of 294.14 g/mol. Its IUPAC name is 2-chloro-N-[5-chloro-1-(4-hydroxybutyl)-6-oxopyridazin-4-yl]acetamide.

Molecular Properties

Compound Name2-chloro-N-[5-chloro-1-(4-hydroxybutyl)-6-oxopyridazin-4-yl]acetamide
PubChem CID11779192
Molecular FormulaC10H13Cl2N3O3
Molecular Weight294.14 g/mol
Exact Mass293.03
IUPAC Name2-chloro-N-[5-chloro-1-(4-hydroxybutyl)-6-oxopyridazin-4-yl]acetamide
SMILESO=C(CCl)Nc1cnn(CCCCO)c(=O)c1Cl
InChIInChI=1S/C10H13Cl2N3O3/c11-5-8(17)14-7-6-13-15(3-1-2-4-16)10(18)9(7)12/h6,16H,1-5H2,(H,14,17)
InChIKeySRRHPSHJXRKHFX-UHFFFAOYSA-N
XLogP0.85
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.14
LogP ≤ 50.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[5-chloro-1-(4-hydroxybutyl)-6-oxopyridazin-4-yl]acetamide?
The IUPAC name of 2-chloro-N-[5-chloro-1-(4-hydroxybutyl)-6-oxopyridazin-4-yl]acetamide (CID 11779192) is 2-chloro-N-[5-chloro-1-(4-hydroxybutyl)-6-oxopyridazin-4-yl]acetamide.
What is the SMILES notation for 2-chloro-N-[5-chloro-1-(4-hydroxybutyl)-6-oxopyridazin-4-yl]acetamide?
The canonical SMILES for 2-chloro-N-[5-chloro-1-(4-hydroxybutyl)-6-oxopyridazin-4-yl]acetamide is O=C(CCl)Nc1cnn(CCCCO)c(=O)c1Cl.
What is the InChIKey of 2-chloro-N-[5-chloro-1-(4-hydroxybutyl)-6-oxopyridazin-4-yl]acetamide?
The InChIKey is SRRHPSHJXRKHFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13Cl2N3O3/c11-5-8(17)14-7-6-13-15(3-1-2-4-16)10(18)9(7)12/h6,16H,1-5H2,(H,14,17).
What are the key properties of 2-chloro-N-[5-chloro-1-(4-hydroxybutyl)-6-oxopyridazin-4-yl]acetamide?
2-chloro-N-[5-chloro-1-(4-hydroxybutyl)-6-oxopyridazin-4-yl]acetamide has a molecular weight of 294.14 g/mol, XLogP of 0.85, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[5-chloro-1-(4-hydroxybutyl)-6-oxopyridazin-4-yl]acetamide is sourced from PubChem (CID 11779192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).