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

C14H23ClN4O2 — CID 114446630

IUPAC2-butyl-4-chloro-5-[methyl(morpholin-2-ylmethyl)amino]pyridazin-3-one
SMILESCCCCn1ncc(N(C)CC2CNCCO2)c(Cl)c1=O
InChIInChI=1S/C14H23ClN4O2/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
InChIKeyCIRFZDPUEXTIHU-UHFFFAOYSA-N
MW314.82 g/mol
LogP1.12
Rot. Bonds6

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

2-butyl-4-chloro-5-[methyl(morpholin-2-ylmethyl)amino]pyridazin-3-one (PubChem CID 114446630) has the molecular formula C14H23ClN4O2 and a molecular weight of 314.82 g/mol. Its IUPAC name is 2-butyl-4-chloro-5-[methyl(morpholin-2-ylmethyl)amino]pyridazin-3-one.

Molecular Properties

Compound Name2-butyl-4-chloro-5-[methyl(morpholin-2-ylmethyl)amino]pyridazin-3-one
PubChem CID114446630
Molecular FormulaC14H23ClN4O2
Molecular Weight314.82 g/mol
Exact Mass314.15
IUPAC Name2-butyl-4-chloro-5-[methyl(morpholin-2-ylmethyl)amino]pyridazin-3-one
SMILESCCCCn1ncc(N(C)CC2CNCCO2)c(Cl)c1=O
InChIInChI=1S/C14H23ClN4O2/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
InChIKeyCIRFZDPUEXTIHU-UHFFFAOYSA-N
XLogP1.12
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.82
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-bromo-2-butyl-5-[methyl(morpholin-2-ylmethyl)amino]pyridazin-3-one
CID 114446640
4-chloro-2-[2-(dimethylamino)ethyl]-5-(morpholin-2-ylmethylamino)pyridazin-3-one
CID 114447048
1-methyl-3-[methyl-[[(2S)-morpholin-2-yl]methyl]amino]pyrazin-2-one
CID 98013250
4-chloro-N,1-dimethyl-N-(morpholin-2-ylmethyl)pyrazole-5-sulfonamide
CID 106315413
4-chloro-5-[ethyl(piperidin-3-yl)amino]-2-propylpyridazin-3-one
CID 114445120
5-[2-aminoethyl(methyl)amino]-4-chloro-2-propylpyridazin-3-one
CID 114444669
4-chloro-2-[2-(dimethylamino)ethyl]-5-[methyl(pyrrolidin-3-yl)amino]pyridazin-3-one
CID 114444942
1-(1-butyl-5-chloro-6-oxopyridazin-4-yl)piperazine-2-carboxylic acid
CID 114445817
2-butyl-4-chloro-5-(oxan-2-ylmethylamino)pyridazin-3-one
CID 114436083
1-(4-chloro-1-propylpyrazol-5-yl)-2-morpholin-2-ylethanone
CID 114669990
N-[(5-ethyl-1-methylpyrazol-4-yl)methyl]-N-methyl-1-morpholin-2-ylmethanamine
CID 155955727
N,N-dimethyl-6-[methyl(morpholin-2-ylmethyl)amino]pyridine-3-sulfonamide
CID 103341176

Frequently Asked Questions

What is the IUPAC name of 2-butyl-4-chloro-5-[methyl(morpholin-2-ylmethyl)amino]pyridazin-3-one?
The IUPAC name of 2-butyl-4-chloro-5-[methyl(morpholin-2-ylmethyl)amino]pyridazin-3-one (CID 114446630) is 2-butyl-4-chloro-5-[methyl(morpholin-2-ylmethyl)amino]pyridazin-3-one.
What is the SMILES notation for 2-butyl-4-chloro-5-[methyl(morpholin-2-ylmethyl)amino]pyridazin-3-one?
The canonical SMILES for 2-butyl-4-chloro-5-[methyl(morpholin-2-ylmethyl)amino]pyridazin-3-one is CCCCn1ncc(N(C)CC2CNCCO2)c(Cl)c1=O.
What is the InChIKey of 2-butyl-4-chloro-5-[methyl(morpholin-2-ylmethyl)amino]pyridazin-3-one?
The InChIKey is CIRFZDPUEXTIHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23ClN4O2/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 2-butyl-4-chloro-5-[methyl(morpholin-2-ylmethyl)amino]pyridazin-3-one?
2-butyl-4-chloro-5-[methyl(morpholin-2-ylmethyl)amino]pyridazin-3-one has a molecular weight of 314.82 g/mol, XLogP of 1.12, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-4-chloro-5-[methyl(morpholin-2-ylmethyl)amino]pyridazin-3-one is sourced from PubChem (CID 114446630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).