5-[4-(3-chloropropoxy)phenyl]-2,6-dimethylpyridazin-3-one

C15H17ClN2O2 — CID 56946413

IUPAC5-[4-(3-chloropropoxy)phenyl]-2,6-dimethylpyridazin-3-one
SMILESCc1nn(C)c(=O)cc1-c1ccc(OCCCCl)cc1
InChIInChI=1S/C15H17ClN2O2/c1-11-14(10-15(19)18(2)17-11)12-4-6-13(7-5-12)20-9-3-8-16/h4-7,10H,3,8-9H2,1-2H3
InChIKeyQCVJMTJDOSWDAD-UHFFFAOYSA-N
MW292.77 g/mol
LogP2.76
Rot. Bonds5

About 5-[4-(3-chloropropoxy)phenyl]-2,6-dimethylpyridazin-3-one

5-[4-(3-chloropropoxy)phenyl]-2,6-dimethylpyridazin-3-one (PubChem CID 56946413) has the molecular formula C15H17ClN2O2 and a molecular weight of 292.77 g/mol. Its IUPAC name is 5-[4-(3-chloropropoxy)phenyl]-2,6-dimethylpyridazin-3-one.

Molecular Properties

Compound Name5-[4-(3-chloropropoxy)phenyl]-2,6-dimethylpyridazin-3-one
PubChem CID56946413
Molecular FormulaC15H17ClN2O2
Molecular Weight292.77 g/mol
Exact Mass292.10
IUPAC Name5-[4-(3-chloropropoxy)phenyl]-2,6-dimethylpyridazin-3-one
SMILESCc1nn(C)c(=O)cc1-c1ccc(OCCCCl)cc1
InChIInChI=1S/C15H17ClN2O2/c1-11-14(10-15(19)18(2)17-11)12-4-6-13(7-5-12)20-9-3-8-16/h4-7,10H,3,8-9H2,1-2H3
InChIKeyQCVJMTJDOSWDAD-UHFFFAOYSA-N
XLogP2.76
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.77
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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

5-Methoxy-2-Methyl-6-(2-Phenoxyphenyl)pyridazin-3(2h)-One
CID 126961716
2-methyl-6-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]pyridazin-3-one
CID 23725172
3(2H)-Pyridazinone, 2-ethyl-5,6-bis(4-methoxyphenyl)-
CID 9902312
2,6-dimethyl-5-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]pyridazin-3-one
CID 24995682
2,6-Dimethyl-5-[4-(3-piperidin-1-ylpropoxy)phenyl]pyridazin-3-one
CID 24995990
2-Methyl-6-[4-(3-piperidin-1-ylpropoxy)phenyl]pyridazin-3-one
CID 53363721
5-[4-(1-Cyclobutylpiperidin-4-yl)oxyphenyl]-2,6-dimethylpyridazin-3-one
CID 57392651
5,6-Bis(4-methoxyphenyl)-2-methylpyridazin-3-one
CID 9945020
5,6-Bis(4-methoxyphenyl)-2-prop-2-enylpyridazin-3-one
CID 10291410
2-[3-(4-Ethoxyphenyl)-6-oxopyridazin-1-yl]acetamide
CID 7660186
6-(2-{[4-(2-methoxyethyl)phenoxy]methyl}phenyl)-2-methylpyridazin-3(2H)-one
CID 72920062
6-[4-(4-Fluorophenoxy)phenyl]-2-methylpyridazin-3-one
CID 20569962

Frequently Asked Questions

What is the IUPAC name of 5-[4-(3-chloropropoxy)phenyl]-2,6-dimethylpyridazin-3-one?
The IUPAC name of 5-[4-(3-chloropropoxy)phenyl]-2,6-dimethylpyridazin-3-one (CID 56946413) is 5-[4-(3-chloropropoxy)phenyl]-2,6-dimethylpyridazin-3-one.
What is the SMILES notation for 5-[4-(3-chloropropoxy)phenyl]-2,6-dimethylpyridazin-3-one?
The canonical SMILES for 5-[4-(3-chloropropoxy)phenyl]-2,6-dimethylpyridazin-3-one is Cc1nn(C)c(=O)cc1-c1ccc(OCCCCl)cc1.
What is the InChIKey of 5-[4-(3-chloropropoxy)phenyl]-2,6-dimethylpyridazin-3-one?
The InChIKey is QCVJMTJDOSWDAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN2O2/c1-11-14(10-15(19)18(2)17-11)12-4-6-13(7-5-12)20-9-3-8-16/h4-7,10H,3,8-9H2,1-2H3.
What are the key properties of 5-[4-(3-chloropropoxy)phenyl]-2,6-dimethylpyridazin-3-one?
5-[4-(3-chloropropoxy)phenyl]-2,6-dimethylpyridazin-3-one has a molecular weight of 292.77 g/mol, XLogP of 2.76, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(3-chloropropoxy)phenyl]-2,6-dimethylpyridazin-3-one is sourced from PubChem (CID 56946413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).