3-(6-oxo-1-propylpyridazin-3-yl)propanoyl chloride

C10H13ClN2O2 — CID 82442315

IUPAC3-(6-oxo-1-propylpyridazin-3-yl)propanoyl chloride
SMILESCCCn1nc(CCC(=O)Cl)ccc1=O
InChIInChI=1S/C10H13ClN2O2/c1-2-7-13-10(15)6-4-8(12-13)3-5-9(11)14/h4,6H,2-3,5,7H2,1H3
InChIKeyOGOCTPICMDUNMC-UHFFFAOYSA-N
MW228.68 g/mol
LogP1.35
Rot. Bonds5

About 3-(6-oxo-1-propylpyridazin-3-yl)propanoyl chloride

3-(6-oxo-1-propylpyridazin-3-yl)propanoyl chloride (PubChem CID 82442315) has the molecular formula C10H13ClN2O2 and a molecular weight of 228.68 g/mol. Its IUPAC name is 3-(6-oxo-1-propylpyridazin-3-yl)propanoyl chloride.

Molecular Properties

Compound Name3-(6-oxo-1-propylpyridazin-3-yl)propanoyl chloride
PubChem CID82442315
Molecular FormulaC10H13ClN2O2
Molecular Weight228.68 g/mol
Exact Mass228.07
IUPAC Name3-(6-oxo-1-propylpyridazin-3-yl)propanoyl chloride
SMILESCCCn1nc(CCC(=O)Cl)ccc1=O
InChIInChI=1S/C10H13ClN2O2/c1-2-7-13-10(15)6-4-8(12-13)3-5-9(11)14/h4,6H,2-3,5,7H2,1H3
InChIKeyOGOCTPICMDUNMC-UHFFFAOYSA-N
XLogP1.35
TPSA51.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.68
LogP ≤ 51.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-[1-(2-methoxyethyl)-6-oxopyridazin-3-yl]propanoic acid
CID 82442528
6-methyl-2-propylpyridazin-3-one
CID 12504076
(E)-3-(6-oxo-1-propylpyridazin-3-yl)prop-2-enoic acid
CID 82442311
(2S)-3-hydroxy-2-[(6-oxo-1-propylpyridazine-3-carbonyl)amino]propanoic acid
CID 61151604
(2R)-3-hydroxy-2-[(6-oxo-1-propylpyridazine-3-carbonyl)amino]propanoic acid
CID 80750921
6-oxo-N-pentan-3-yl-1-propylpyridazine-3-carboxamide
CID 78784702
[4-[(6-oxo-1-propylpyridazine-3-carbonyl)oxymethyl]phenyl]methyl 6-oxo-1-propylpyridazine-3-carboxylate
CID 30563601
(2R)-2-[(6-oxo-1-propylpyridazine-3-carbonyl)amino]propanoic acid
CID 54990747
2-[carboxymethyl-(6-oxo-1-propylpyridazine-3-carbonyl)amino]acetic acid
CID 63651920
2-[(6-oxo-1-propylpyridazine-3-carbonyl)amino]propanoic acid
CID 43355382
2-propyl-6-(2,2,3,3-tetramethylazetidine-1-carbonyl)pyridazin-3-one
CID 96565359
6-(3-hydroxyazetidine-1-carbonyl)-2-propylpyridazin-3-one
CID 63106592

Frequently Asked Questions

What is the IUPAC name of 3-(6-oxo-1-propylpyridazin-3-yl)propanoyl chloride?
The IUPAC name of 3-(6-oxo-1-propylpyridazin-3-yl)propanoyl chloride (CID 82442315) is 3-(6-oxo-1-propylpyridazin-3-yl)propanoyl chloride.
What is the SMILES notation for 3-(6-oxo-1-propylpyridazin-3-yl)propanoyl chloride?
The canonical SMILES for 3-(6-oxo-1-propylpyridazin-3-yl)propanoyl chloride is CCCn1nc(CCC(=O)Cl)ccc1=O.
What is the InChIKey of 3-(6-oxo-1-propylpyridazin-3-yl)propanoyl chloride?
The InChIKey is OGOCTPICMDUNMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClN2O2/c1-2-7-13-10(15)6-4-8(12-13)3-5-9(11)14/h4,6H,2-3,5,7H2,1H3.
What are the key properties of 3-(6-oxo-1-propylpyridazin-3-yl)propanoyl chloride?
3-(6-oxo-1-propylpyridazin-3-yl)propanoyl chloride has a molecular weight of 228.68 g/mol, XLogP of 1.35, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-oxo-1-propylpyridazin-3-yl)propanoyl chloride is sourced from PubChem (CID 82442315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).