4-bromo-5-[3-(4-methoxyphenoxy)propylamino]-2-methylpyridazin-3-one

C15H18BrN3O3 — CID 133303798

IUPAC4-bromo-5-[3-(4-methoxyphenoxy)propylamino]-2-methylpyridazin-3-one
SMILESCOc1ccc(OCCCNc2cnn(C)c(=O)c2Br)cc1
InChIInChI=1S/C15H18BrN3O3/c1-19-15(20)14(16)13(10-18-19)17-8-3-9-22-12-6-4-11(21-2)5-7-12/h4-7,10,17H,3,8-9H2,1-2H3
InChIKeyKMYCANZVPROQDT-UHFFFAOYSA-N
MW368.23 g/mol
LogP2.43
Rot. Bonds7

About 4-bromo-5-[3-(4-methoxyphenoxy)propylamino]-2-methylpyridazin-3-one

4-bromo-5-[3-(4-methoxyphenoxy)propylamino]-2-methylpyridazin-3-one (PubChem CID 133303798) has the molecular formula C15H18BrN3O3 and a molecular weight of 368.23 g/mol. Its IUPAC name is 4-bromo-5-[3-(4-methoxyphenoxy)propylamino]-2-methylpyridazin-3-one.

Molecular Properties

Compound Name4-bromo-5-[3-(4-methoxyphenoxy)propylamino]-2-methylpyridazin-3-one
PubChem CID133303798
Molecular FormulaC15H18BrN3O3
Molecular Weight368.23 g/mol
Exact Mass367.05
IUPAC Name4-bromo-5-[3-(4-methoxyphenoxy)propylamino]-2-methylpyridazin-3-one
SMILESCOc1ccc(OCCCNc2cnn(C)c(=O)c2Br)cc1
InChIInChI=1S/C15H18BrN3O3/c1-19-15(20)14(16)13(10-18-19)17-8-3-9-22-12-6-4-11(21-2)5-7-12/h4-7,10,17H,3,8-9H2,1-2H3
InChIKeyKMYCANZVPROQDT-UHFFFAOYSA-N
XLogP2.43
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.23
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

4-bromo-2-methyl-5-[2-[4-(trifluoromethyl)phenoxy]ethylamino]pyridazin-3-one
CID 133303589
4-bromo-5-[3-(2,5-dimethoxyphenyl)propylamino]-2-methylpyridazin-3-one
CID 133403053
4-bromo-5-[3-[4-(4-methoxyphenyl)piperazin-1-yl]propylamino]-2-methylpyridazin-3-one
CID 133303042
4-bromo-5-[3-(4-methoxyphenyl)butylamino]-2-methylpyridazin-3-one
CID 133353632
4-bromo-2-ethyl-5-(3-phenoxypropylamino)pyridazin-3-one
CID 114437016
4-bromo-5-(2-ethoxyethylamino)-2-methylpyridazin-3-one
CID 115624079
4-bromo-5-[[1-(4-methoxyphenyl)-2-methylpropyl]amino]-2-methylpyridazin-3-one
CID 133303054
4-bromo-2-methyl-5-[3-(1H-1,2,4-triazol-5-yl)propylamino]pyridazin-3-one
CID 113239915
4-bromo-5-[(5-hydroxy-4-methylpentyl)amino]-2-methylpyridazin-3-one
CID 113340114
4-bromo-5-(but-3-ynylamino)-2-methylpyridazin-3-one
CID 115625317
4-bromo-2-methyl-5-[(4-propan-2-yloxyphenyl)methylamino]pyridazin-3-one
CID 133303288
5-[2-(azepan-1-yl)ethylamino]-4-bromo-2-methylpyridazin-3-one
CID 115624040

Frequently Asked Questions

What is the IUPAC name of 4-bromo-5-[3-(4-methoxyphenoxy)propylamino]-2-methylpyridazin-3-one?
The IUPAC name of 4-bromo-5-[3-(4-methoxyphenoxy)propylamino]-2-methylpyridazin-3-one (CID 133303798) is 4-bromo-5-[3-(4-methoxyphenoxy)propylamino]-2-methylpyridazin-3-one.
What is the SMILES notation for 4-bromo-5-[3-(4-methoxyphenoxy)propylamino]-2-methylpyridazin-3-one?
The canonical SMILES for 4-bromo-5-[3-(4-methoxyphenoxy)propylamino]-2-methylpyridazin-3-one is COc1ccc(OCCCNc2cnn(C)c(=O)c2Br)cc1.
What is the InChIKey of 4-bromo-5-[3-(4-methoxyphenoxy)propylamino]-2-methylpyridazin-3-one?
The InChIKey is KMYCANZVPROQDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18BrN3O3/c1-19-15(20)14(16)13(10-18-19)17-8-3-9-22-12-6-4-11(21-2)5-7-12/h4-7,10,17H,3,8-9H2,1-2H3.
What are the key properties of 4-bromo-5-[3-(4-methoxyphenoxy)propylamino]-2-methylpyridazin-3-one?
4-bromo-5-[3-(4-methoxyphenoxy)propylamino]-2-methylpyridazin-3-one has a molecular weight of 368.23 g/mol, XLogP of 2.43, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-5-[3-(4-methoxyphenoxy)propylamino]-2-methylpyridazin-3-one is sourced from PubChem (CID 133303798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).