4-bromo-2-methyl-5-[[2-(morpholin-4-ylmethyl)phenyl]methylamino]pyridazin-3-one

C17H21BrN4O2 — CID 133303007

IUPAC4-bromo-2-methyl-5-[[2-(morpholin-4-ylmethyl)phenyl]methylamino]pyridazin-3-one
SMILESCn1ncc(NCc2ccccc2CN2CCOCC2)c(Br)c1=O
InChIInChI=1S/C17H21BrN4O2/c1-21-17(23)16(18)15(11-20-21)19-10-13-4-2-3-5-14(13)12-22-6-8-24-9-7-22/h2-5,11,19H,6-10,12H2,1H3
InChIKeyGSVWTMCDNBUUJI-UHFFFAOYSA-N
MW393.29 g/mol
LogP1.99
Rot. Bonds5

About 4-bromo-2-methyl-5-[[2-(morpholin-4-ylmethyl)phenyl]methylamino]pyridazin-3-one

4-bromo-2-methyl-5-[[2-(morpholin-4-ylmethyl)phenyl]methylamino]pyridazin-3-one (PubChem CID 133303007) has the molecular formula C17H21BrN4O2 and a molecular weight of 393.29 g/mol. Its IUPAC name is 4-bromo-2-methyl-5-[[2-(morpholin-4-ylmethyl)phenyl]methylamino]pyridazin-3-one.

Molecular Properties

Compound Name4-bromo-2-methyl-5-[[2-(morpholin-4-ylmethyl)phenyl]methylamino]pyridazin-3-one
PubChem CID133303007
Molecular FormulaC17H21BrN4O2
Molecular Weight393.29 g/mol
Exact Mass392.08
IUPAC Name4-bromo-2-methyl-5-[[2-(morpholin-4-ylmethyl)phenyl]methylamino]pyridazin-3-one
SMILESCn1ncc(NCc2ccccc2CN2CCOCC2)c(Br)c1=O
InChIInChI=1S/C17H21BrN4O2/c1-21-17(23)16(18)15(11-20-21)19-10-13-4-2-3-5-14(13)12-22-6-8-24-9-7-22/h2-5,11,19H,6-10,12H2,1H3
InChIKeyGSVWTMCDNBUUJI-UHFFFAOYSA-N
XLogP1.99
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.29
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-bromo-5-[[2-(ethoxymethyl)phenyl]methylamino]-2-methylpyridazin-3-one
CID 115624032
4-bromo-5-[(3-ethyl-2-pyridinyl)methylamino]-2-methylpyridazin-3-one
CID 114440933
4-bromo-2-ethyl-5-[(2-ethylphenyl)methylamino]pyridazin-3-one
CID 114439016
4-bromo-5-[(5-ethylthiophen-2-yl)methylamino]-2-methylpyridazin-3-one
CID 113235061
4-bromo-2-methyl-5-[(1-methylpyrazol-4-yl)methylamino]pyridazin-3-one
CID 115624125
4-bromo-5-[(5-chlorothiophen-2-yl)methylamino]-2-methylpyridazin-3-one
CID 113235057
4-bromo-2-methyl-5-[4-[(2-methylphenyl)methyl]piperazin-1-yl]pyridazin-3-one
CID 155544430
5-[2-(azepan-1-yl)ethylamino]-4-bromo-2-methylpyridazin-3-one
CID 115624040
4-chloro-5-[(2-ethylphenyl)methylamino]-2-methylpyridazin-3-one
CID 115644108
2-bromo-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]acetamide
CID 63679084
4-bromo-2-methyl-5-(1H-pyrazol-5-ylmethylamino)pyridazin-3-one
CID 84583923
4-bromo-5-(3-morpholin-4-ylpropylamino)-2-propan-2-ylpyridazin-3-one
CID 114432947

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-methyl-5-[[2-(morpholin-4-ylmethyl)phenyl]methylamino]pyridazin-3-one?
The IUPAC name of 4-bromo-2-methyl-5-[[2-(morpholin-4-ylmethyl)phenyl]methylamino]pyridazin-3-one (CID 133303007) is 4-bromo-2-methyl-5-[[2-(morpholin-4-ylmethyl)phenyl]methylamino]pyridazin-3-one.
What is the SMILES notation for 4-bromo-2-methyl-5-[[2-(morpholin-4-ylmethyl)phenyl]methylamino]pyridazin-3-one?
The canonical SMILES for 4-bromo-2-methyl-5-[[2-(morpholin-4-ylmethyl)phenyl]methylamino]pyridazin-3-one is Cn1ncc(NCc2ccccc2CN2CCOCC2)c(Br)c1=O.
What is the InChIKey of 4-bromo-2-methyl-5-[[2-(morpholin-4-ylmethyl)phenyl]methylamino]pyridazin-3-one?
The InChIKey is GSVWTMCDNBUUJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21BrN4O2/c1-21-17(23)16(18)15(11-20-21)19-10-13-4-2-3-5-14(13)12-22-6-8-24-9-7-22/h2-5,11,19H,6-10,12H2,1H3.
What are the key properties of 4-bromo-2-methyl-5-[[2-(morpholin-4-ylmethyl)phenyl]methylamino]pyridazin-3-one?
4-bromo-2-methyl-5-[[2-(morpholin-4-ylmethyl)phenyl]methylamino]pyridazin-3-one has a molecular weight of 393.29 g/mol, XLogP of 1.99, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-methyl-5-[[2-(morpholin-4-ylmethyl)phenyl]methylamino]pyridazin-3-one is sourced from PubChem (CID 133303007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).