4-(chloromethyl)-2-methyl-6-(3-propoxyphenyl)pyridazin-3-one

C15H17ClN2O2 — CID 82444242

IUPAC4-(chloromethyl)-2-methyl-6-(3-propoxyphenyl)pyridazin-3-one
SMILESCCCOc1cccc(-c2cc(CCl)c(=O)n(C)n2)c1
InChIInChI=1S/C15H17ClN2O2/c1-3-7-20-13-6-4-5-11(8-13)14-9-12(10-16)15(19)18(2)17-14/h4-6,8-9H,3,7,10H2,1-2H3
InChIKeyWTVCUQYDJNRPDX-UHFFFAOYSA-N
MW292.77 g/mol
LogP2.97
Rot. Bonds5

About 4-(chloromethyl)-2-methyl-6-(3-propoxyphenyl)pyridazin-3-one

4-(chloromethyl)-2-methyl-6-(3-propoxyphenyl)pyridazin-3-one (PubChem CID 82444242) has the molecular formula C15H17ClN2O2 and a molecular weight of 292.77 g/mol. Its IUPAC name is 4-(chloromethyl)-2-methyl-6-(3-propoxyphenyl)pyridazin-3-one.

Molecular Properties

Compound Name4-(chloromethyl)-2-methyl-6-(3-propoxyphenyl)pyridazin-3-one
PubChem CID82444242
Molecular FormulaC15H17ClN2O2
Molecular Weight292.77 g/mol
Exact Mass292.10
IUPAC Name4-(chloromethyl)-2-methyl-6-(3-propoxyphenyl)pyridazin-3-one
SMILESCCCOc1cccc(-c2cc(CCl)c(=O)n(C)n2)c1
InChIInChI=1S/C15H17ClN2O2/c1-3-7-20-13-6-4-5-11(8-13)14-9-12(10-16)15(19)18(2)17-14/h4-6,8-9H,3,7,10H2,1-2H3
InChIKeyWTVCUQYDJNRPDX-UHFFFAOYSA-N
XLogP2.97
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 ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-methyl-3-oxo-6-(3-propoxyphenyl)pyridazine-4-carbaldehyde
CID 82444237
4-(chloromethyl)-6-(4-ethoxyphenyl)-2-methylpyridazin-3-one
CID 82444338
4-(chloromethyl)-2-ethyl-6-(4-propoxyphenyl)pyridazin-3-one
CID 82445160
4-(chloromethyl)-6-(3-methoxyphenyl)-2-(2-methylpropyl)pyridazin-3-one
CID 82447397
3-[6-(3-methoxyphenyl)-2-methyl-3-oxopyridazin-4-yl]propanoic acid
CID 82444203
4-amino-6-(3-butoxyphenyl)-2-ethylpyridazin-3-one
CID 82467495
4-acetyl-2-methyl-6-(4-propoxyphenyl)pyridazin-3-one
CID 82444386
2-methyl-3-oxo-6-(3-propan-2-yloxyphenyl)pyridazine-4-carboxylic acid
CID 82444253
2-methyl-6-[3-(2-methylpropoxy)phenyl]-3-oxopyridazine-4-carbonitrile
CID 82444286
4-acetyl-2-methyl-6-[3-(2-methylpropoxy)phenyl]pyridazin-3-one
CID 82444294
4-(2-hydroxypropan-2-yl)-2-methyl-6-(4-propoxyphenyl)pyridazin-3-one
CID 82444384
4-(hydroxymethyl)-6-(3-methoxyphenyl)-2-propylpyridazin-3-one
CID 82446808

Frequently Asked Questions

What is the IUPAC name of 4-(chloromethyl)-2-methyl-6-(3-propoxyphenyl)pyridazin-3-one?
The IUPAC name of 4-(chloromethyl)-2-methyl-6-(3-propoxyphenyl)pyridazin-3-one (CID 82444242) is 4-(chloromethyl)-2-methyl-6-(3-propoxyphenyl)pyridazin-3-one.
What is the SMILES notation for 4-(chloromethyl)-2-methyl-6-(3-propoxyphenyl)pyridazin-3-one?
The canonical SMILES for 4-(chloromethyl)-2-methyl-6-(3-propoxyphenyl)pyridazin-3-one is CCCOc1cccc(-c2cc(CCl)c(=O)n(C)n2)c1.
What is the InChIKey of 4-(chloromethyl)-2-methyl-6-(3-propoxyphenyl)pyridazin-3-one?
The InChIKey is WTVCUQYDJNRPDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN2O2/c1-3-7-20-13-6-4-5-11(8-13)14-9-12(10-16)15(19)18(2)17-14/h4-6,8-9H,3,7,10H2,1-2H3.
What are the key properties of 4-(chloromethyl)-2-methyl-6-(3-propoxyphenyl)pyridazin-3-one?
4-(chloromethyl)-2-methyl-6-(3-propoxyphenyl)pyridazin-3-one has a molecular weight of 292.77 g/mol, XLogP of 2.97, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(chloromethyl)-2-methyl-6-(3-propoxyphenyl)pyridazin-3-one is sourced from PubChem (CID 82444242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).