5-bromo-4-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]-1H-pyridazin-6-one

C15H18BrN3O3 — CID 17472503

IUPAC5-bromo-4-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]-1H-pyridazin-6-one
SMILESCOc1ccc(CCN(C)c2cn[nH]c(=O)c2Br)cc1OC
InChIInChI=1S/C15H18BrN3O3/c1-19(11-9-17-18-15(20)14(11)16)7-6-10-4-5-12(21-2)13(8-10)22-3/h4-5,8-9H,6-7H2,1-3H3,(H,18,20)
InChIKeyULJHNJJCZXIEFZ-UHFFFAOYSA-N
MW368.23 g/mol
LogP2.23
Rot. Bonds6

About 5-bromo-4-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]-1H-pyridazin-6-one

5-bromo-4-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]-1H-pyridazin-6-one (PubChem CID 17472503) has the molecular formula C15H18BrN3O3 and a molecular weight of 368.23 g/mol. Its IUPAC name is 5-bromo-4-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]-1H-pyridazin-6-one.

Molecular Properties

Compound Name5-bromo-4-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]-1H-pyridazin-6-one
PubChem CID17472503
Molecular FormulaC15H18BrN3O3
Molecular Weight368.23 g/mol
Exact Mass367.05
IUPAC Name5-bromo-4-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]-1H-pyridazin-6-one
SMILESCOc1ccc(CCN(C)c2cn[nH]c(=O)c2Br)cc1OC
InChIInChI=1S/C15H18BrN3O3/c1-19(11-9-17-18-15(20)14(11)16)7-6-10-4-5-12(21-2)13(8-10)22-3/h4-5,8-9H,6-7H2,1-3H3,(H,18,20)
InChIKeyULJHNJJCZXIEFZ-UHFFFAOYSA-N
XLogP2.23
TPSA67.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.23
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3,4-dimethoxyphenethyl)-6-oxo-1,6-dihydropyridazine-3-carboxamide
CID 660163
NZ 107
CID 129496
3(2H)-Pyridazinone, 4-bromo-5-(((3-butoxy-4-methoxyphenyl)methyl)amino)-
CID 3065185
4-chloro-5-((3,4-dimethoxyphenethyl)amino)pyridazin-3(2H)-one
CID 728312
4-Chloro-5-[1-(3,4-dimethoxyphenyl)ethylamino]-2-methylpyridazin-3-one
CID 71940017
Nip 502
CID 130955
N-(3,4-dimethoxyphenethyl)-1-(6-oxo-1,6-dihydro-4-pyridazinyl)-3-pyrrolidinecarboxamide
CID 91920227
5-chloro-4-[2-[4-(difluoromethoxy)-3-methoxyphenyl]ethylamino]-1H-pyridazin-6-one
CID 45798165
5-(dimethylamino)-2-(2-fluoro-4,5-dimethoxybenzyl)pyridazin-3(2H)-one
CID 72911192
4-Bromo-5-[1-(2-fluoro-4,5-dimethoxyphenyl)ethylamino]-2-methylpyridazin-3-one
CID 86951850
4-Bromo-5-[2-[3-(difluoromethoxy)-4-methoxyphenyl]ethylamino]-2-methylpyridazin-3-one
CID 132473350
4-Bromo-5-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl-methylamino]-2-methylpyridazin-3-one
CID 133303328

Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]-1H-pyridazin-6-one?
The IUPAC name of 5-bromo-4-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]-1H-pyridazin-6-one (CID 17472503) is 5-bromo-4-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]-1H-pyridazin-6-one.
What is the SMILES notation for 5-bromo-4-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]-1H-pyridazin-6-one?
The canonical SMILES for 5-bromo-4-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]-1H-pyridazin-6-one is COc1ccc(CCN(C)c2cn[nH]c(=O)c2Br)cc1OC.
What is the InChIKey of 5-bromo-4-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]-1H-pyridazin-6-one?
The InChIKey is ULJHNJJCZXIEFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18BrN3O3/c1-19(11-9-17-18-15(20)14(11)16)7-6-10-4-5-12(21-2)13(8-10)22-3/h4-5,8-9H,6-7H2,1-3H3,(H,18,20).
What are the key properties of 5-bromo-4-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]-1H-pyridazin-6-one?
5-bromo-4-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]-1H-pyridazin-6-one has a molecular weight of 368.23 g/mol, XLogP of 2.23, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]-1H-pyridazin-6-one is sourced from PubChem (CID 17472503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).