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

C10H14ClN3O3 — CID 10244330

IUPAC2-chloro-N-[1-(4-hydroxybutyl)-6-oxopyridazin-4-yl]acetamide
SMILESO=C(CCl)Nc1cnn(CCCCO)c(=O)c1
InChIInChI=1S/C10H14ClN3O3/c11-6-9(16)13-8-5-10(17)14(12-7-8)3-1-2-4-15/h5,7,15H,1-4,6H2,(H,13,16)
InChIKeyVVIJVAWOSOFEOB-UHFFFAOYSA-N
MW259.69 g/mol
LogP0.19
Rot. Bonds6

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

2-chloro-N-[1-(4-hydroxybutyl)-6-oxopyridazin-4-yl]acetamide (PubChem CID 10244330) has the molecular formula C10H14ClN3O3 and a molecular weight of 259.69 g/mol. Its IUPAC name is 2-chloro-N-[1-(4-hydroxybutyl)-6-oxopyridazin-4-yl]acetamide.

Molecular Properties

Compound Name2-chloro-N-[1-(4-hydroxybutyl)-6-oxopyridazin-4-yl]acetamide
PubChem CID10244330
Molecular FormulaC10H14ClN3O3
Molecular Weight259.69 g/mol
Exact Mass259.07
IUPAC Name2-chloro-N-[1-(4-hydroxybutyl)-6-oxopyridazin-4-yl]acetamide
SMILESO=C(CCl)Nc1cnn(CCCCO)c(=O)c1
InChIInChI=1S/C10H14ClN3O3/c11-6-9(16)13-8-5-10(17)14(12-7-8)3-1-2-4-15/h5,7,15H,1-4,6H2,(H,13,16)
InChIKeyVVIJVAWOSOFEOB-UHFFFAOYSA-N
XLogP0.19
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.69
LogP ≤ 50.19
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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Related Compounds

4-Chloro-5-(4-hydroxybutylamino)-2-(2,2,2-trifluoroethyl)pyridazin-3-one
CID 106842498
4-Chloro-2-(4-hydroxybutyl)-5-(methylamino)pyridazin-3-one
CID 9991519
5-Amino-2-(4-hydroxybutyl)pyridazin-3-one
CID 10012594
2-(4-Hydroxybutyl)-5-(methylamino)pyridazin-3-one
CID 10352676
5-Amino-4-chloro-2-(4-hydroxybutyl)pyridazin-3-one
CID 10376068
2-chloro-N-[5-chloro-1-(4-hydroxybutyl)-6-oxopyridazin-4-yl]acetamide
CID 11779192
5-(Ethylamino)-2-(4-hydroxybutyl)pyridazin-3-one
CID 103219069
2-(4-Hydroxybutyl)-5-(propan-2-ylamino)pyridazin-3-one
CID 103219499
2-(4-Hydroxybutyl)-5-(propylamino)pyridazin-3-one
CID 103220249
4-Chloro-5-(4-hydroxypentylamino)-2-prop-2-enylpyridazin-3-one
CID 106136754
4-Chloro-5-[(4-hydroxy-2,2-dimethylbutyl)amino]-2-prop-2-enylpyridazin-3-one
CID 106148935
4-Chloro-2-ethyl-5-(4-hydroxybutylamino)pyridazin-3-one
CID 106842538

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[1-(4-hydroxybutyl)-6-oxopyridazin-4-yl]acetamide?
The IUPAC name of 2-chloro-N-[1-(4-hydroxybutyl)-6-oxopyridazin-4-yl]acetamide (CID 10244330) is 2-chloro-N-[1-(4-hydroxybutyl)-6-oxopyridazin-4-yl]acetamide.
What is the SMILES notation for 2-chloro-N-[1-(4-hydroxybutyl)-6-oxopyridazin-4-yl]acetamide?
The canonical SMILES for 2-chloro-N-[1-(4-hydroxybutyl)-6-oxopyridazin-4-yl]acetamide is O=C(CCl)Nc1cnn(CCCCO)c(=O)c1.
What is the InChIKey of 2-chloro-N-[1-(4-hydroxybutyl)-6-oxopyridazin-4-yl]acetamide?
The InChIKey is VVIJVAWOSOFEOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClN3O3/c11-6-9(16)13-8-5-10(17)14(12-7-8)3-1-2-4-15/h5,7,15H,1-4,6H2,(H,13,16).
What are the key properties of 2-chloro-N-[1-(4-hydroxybutyl)-6-oxopyridazin-4-yl]acetamide?
2-chloro-N-[1-(4-hydroxybutyl)-6-oxopyridazin-4-yl]acetamide has a molecular weight of 259.69 g/mol, XLogP of 0.19, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[1-(4-hydroxybutyl)-6-oxopyridazin-4-yl]acetamide is sourced from PubChem (CID 10244330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).