4-bromo-2-butyl-5-[methyl(morpholin-2-ylmethyl)amino]pyridazin-3-one

C14H23BrN4O2 — CID 114446640

IUPAC4-bromo-2-butyl-5-[methyl(morpholin-2-ylmethyl)amino]pyridazin-3-one
SMILESCCCCn1ncc(N(C)CC2CNCCO2)c(Br)c1=O
InChIInChI=1S/C14H23BrN4O2/c1-3-4-6-19-14(20)13(15)12(9-17-19)18(2)10-11-8-16-5-7-21-11/h9,11,16H,3-8,10H2,1-2H3
InChIKeyPBNKGTHFCBREGQ-UHFFFAOYSA-N
MW359.27 g/mol
LogP1.23
Rot. Bonds6

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

4-bromo-2-butyl-5-[methyl(morpholin-2-ylmethyl)amino]pyridazin-3-one (PubChem CID 114446640) has the molecular formula C14H23BrN4O2 and a molecular weight of 359.27 g/mol. Its IUPAC name is 4-bromo-2-butyl-5-[methyl(morpholin-2-ylmethyl)amino]pyridazin-3-one.

Molecular Properties

Compound Name4-bromo-2-butyl-5-[methyl(morpholin-2-ylmethyl)amino]pyridazin-3-one
PubChem CID114446640
Molecular FormulaC14H23BrN4O2
Molecular Weight359.27 g/mol
Exact Mass358.10
IUPAC Name4-bromo-2-butyl-5-[methyl(morpholin-2-ylmethyl)amino]pyridazin-3-one
SMILESCCCCn1ncc(N(C)CC2CNCCO2)c(Br)c1=O
InChIInChI=1S/C14H23BrN4O2/c1-3-4-6-19-14(20)13(15)12(9-17-19)18(2)10-11-8-16-5-7-21-11/h9,11,16H,3-8,10H2,1-2H3
InChIKeyPBNKGTHFCBREGQ-UHFFFAOYSA-N
XLogP1.23
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.27
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-butyl-4-chloro-5-[methyl(morpholin-2-ylmethyl)amino]pyridazin-3-one
CID 114446630
1-methyl-3-[methyl-[[(2S)-morpholin-2-yl]methyl]amino]pyrazin-2-one
CID 98013250
4-bromo-2-butyl-5-(pyrrolidin-3-ylmethylamino)pyridazin-3-one
CID 114446545
4,5-dibromo-2-butylpyridazin-3-one
CID 10828722
4-bromo-2-(2-hydroxyethyl)-5-[methyl(pyrrolidin-3-yl)amino]pyridazin-3-one
CID 114444964
4-bromo-2-ethyl-5-[methyl(piperidin-2-ylmethyl)amino]pyridazin-3-one
CID 106642106
4-bromo-5-[ethyl(piperidin-4-ylmethyl)amino]-2-propylpyridazin-3-one
CID 114446386
N,N-dimethyl-6-[methyl(morpholin-2-ylmethyl)amino]pyridine-3-sulfonamide
CID 103341176
N-[(5-ethyl-1-methylpyrazol-4-yl)methyl]-N-methyl-1-morpholin-2-ylmethanamine
CID 155955727
4-chloro-2-[2-(dimethylamino)ethyl]-5-(morpholin-2-ylmethylamino)pyridazin-3-one
CID 114447048
5-(dimethylamino)-2-(morpholin-2-ylmethyl)pyridazin-3-one
CID 114395880
N-methyl-N-(morpholin-2-ylmethyl)-2-nitropyridin-3-amine
CID 104540927

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-butyl-5-[methyl(morpholin-2-ylmethyl)amino]pyridazin-3-one?
The IUPAC name of 4-bromo-2-butyl-5-[methyl(morpholin-2-ylmethyl)amino]pyridazin-3-one (CID 114446640) is 4-bromo-2-butyl-5-[methyl(morpholin-2-ylmethyl)amino]pyridazin-3-one.
What is the SMILES notation for 4-bromo-2-butyl-5-[methyl(morpholin-2-ylmethyl)amino]pyridazin-3-one?
The canonical SMILES for 4-bromo-2-butyl-5-[methyl(morpholin-2-ylmethyl)amino]pyridazin-3-one is CCCCn1ncc(N(C)CC2CNCCO2)c(Br)c1=O.
What is the InChIKey of 4-bromo-2-butyl-5-[methyl(morpholin-2-ylmethyl)amino]pyridazin-3-one?
The InChIKey is PBNKGTHFCBREGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23BrN4O2/c1-3-4-6-19-14(20)13(15)12(9-17-19)18(2)10-11-8-16-5-7-21-11/h9,11,16H,3-8,10H2,1-2H3.
What are the key properties of 4-bromo-2-butyl-5-[methyl(morpholin-2-ylmethyl)amino]pyridazin-3-one?
4-bromo-2-butyl-5-[methyl(morpholin-2-ylmethyl)amino]pyridazin-3-one has a molecular weight of 359.27 g/mol, XLogP of 1.23, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-butyl-5-[methyl(morpholin-2-ylmethyl)amino]pyridazin-3-one is sourced from PubChem (CID 114446640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).