4-bromo-2-ethyl-5-[2-[2-methoxyethyl(methyl)amino]ethylamino]pyridazin-3-one

C12H21BrN4O2 — CID 114437451

IUPAC4-bromo-2-ethyl-5-[2-[2-methoxyethyl(methyl)amino]ethylamino]pyridazin-3-one
SMILESCCn1ncc(NCCN(C)CCOC)c(Br)c1=O
InChIInChI=1S/C12H21BrN4O2/c1-4-17-12(18)11(13)10(9-15-17)14-5-6-16(2)7-8-19-3/h9,14H,4-8H2,1-3H3
InChIKeyRXZGINBTJBVTQO-UHFFFAOYSA-N
MW333.23 g/mol
LogP1.02
Rot. Bonds8

About 4-bromo-2-ethyl-5-[2-[2-methoxyethyl(methyl)amino]ethylamino]pyridazin-3-one

4-bromo-2-ethyl-5-[2-[2-methoxyethyl(methyl)amino]ethylamino]pyridazin-3-one (PubChem CID 114437451) has the molecular formula C12H21BrN4O2 and a molecular weight of 333.23 g/mol. Its IUPAC name is 4-bromo-2-ethyl-5-[2-[2-methoxyethyl(methyl)amino]ethylamino]pyridazin-3-one.

Molecular Properties

Compound Name4-bromo-2-ethyl-5-[2-[2-methoxyethyl(methyl)amino]ethylamino]pyridazin-3-one
PubChem CID114437451
Molecular FormulaC12H21BrN4O2
Molecular Weight333.23 g/mol
Exact Mass332.08
IUPAC Name4-bromo-2-ethyl-5-[2-[2-methoxyethyl(methyl)amino]ethylamino]pyridazin-3-one
SMILESCCn1ncc(NCCN(C)CCOC)c(Br)c1=O
InChIInChI=1S/C12H21BrN4O2/c1-4-17-12(18)11(13)10(9-15-17)14-5-6-16(2)7-8-19-3/h9,14H,4-8H2,1-3H3
InChIKeyRXZGINBTJBVTQO-UHFFFAOYSA-N
XLogP1.02
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.23
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-bromo-5-[2-[2-methoxyethyl(methyl)amino]ethylamino]-2-(2-methylpropyl)pyridazin-3-one
CID 114437435
4-bromo-5-[2-[2-methoxyethyl(methyl)amino]ethylamino]-2-propan-2-ylpyridazin-3-one
CID 114437453
4-bromo-5-[3-(dimethylamino)propylamino]-2-ethylpyridazin-3-one
CID 114432587
4-bromo-2-ethyl-5-[4-[methyl(propan-2-yl)amino]butylamino]pyridazin-3-one
CID 114436674
4-bromo-2-[2-(dimethylamino)ethyl]-5-[2-(2-methoxyethylamino)ethylamino]pyridazin-3-one
CID 114447121
4-bromo-2-ethyl-5-[2-(ethylamino)ethylamino]pyridazin-3-one
CID 114444572
4-bromo-5-[2-[ethyl(methyl)amino]ethylamino]-2-(2,2,2-trifluoroethyl)pyridazin-3-one
CID 114437286
ethyl 3-[(5-bromo-1-ethyl-6-oxopyridazin-4-yl)amino]propanoate
CID 114436700
4-bromo-5-[[2-(dimethylamino)-2-methylpropyl]amino]-2-ethylpyridazin-3-one
CID 114436162
4-bromo-2-(cyclopropylmethyl)-5-[2-[ethyl(methyl)amino]ethylamino]pyridazin-3-one
CID 114437293
4-bromo-2-ethyl-5-[2-(2,2,2-trifluoroethoxy)ethylamino]pyridazin-3-one
CID 114438163
4-bromo-2-ethyl-5-(3-phenoxypropylamino)pyridazin-3-one
CID 114437016

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-ethyl-5-[2-[2-methoxyethyl(methyl)amino]ethylamino]pyridazin-3-one?
The IUPAC name of 4-bromo-2-ethyl-5-[2-[2-methoxyethyl(methyl)amino]ethylamino]pyridazin-3-one (CID 114437451) is 4-bromo-2-ethyl-5-[2-[2-methoxyethyl(methyl)amino]ethylamino]pyridazin-3-one.
What is the SMILES notation for 4-bromo-2-ethyl-5-[2-[2-methoxyethyl(methyl)amino]ethylamino]pyridazin-3-one?
The canonical SMILES for 4-bromo-2-ethyl-5-[2-[2-methoxyethyl(methyl)amino]ethylamino]pyridazin-3-one is CCn1ncc(NCCN(C)CCOC)c(Br)c1=O.
What is the InChIKey of 4-bromo-2-ethyl-5-[2-[2-methoxyethyl(methyl)amino]ethylamino]pyridazin-3-one?
The InChIKey is RXZGINBTJBVTQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21BrN4O2/c1-4-17-12(18)11(13)10(9-15-17)14-5-6-16(2)7-8-19-3/h9,14H,4-8H2,1-3H3.
What are the key properties of 4-bromo-2-ethyl-5-[2-[2-methoxyethyl(methyl)amino]ethylamino]pyridazin-3-one?
4-bromo-2-ethyl-5-[2-[2-methoxyethyl(methyl)amino]ethylamino]pyridazin-3-one has a molecular weight of 333.23 g/mol, XLogP of 1.02, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-ethyl-5-[2-[2-methoxyethyl(methyl)amino]ethylamino]pyridazin-3-one is sourced from PubChem (CID 114437451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).