4-bromo-5-[(4-methylmorpholin-2-yl)methylamino]-2-propylpyridazin-3-one

C13H21BrN4O2 — CID 114439861

IUPAC4-bromo-5-[(4-methylmorpholin-2-yl)methylamino]-2-propylpyridazin-3-one
SMILESCCCn1ncc(NCC2CN(C)CCO2)c(Br)c1=O
InChIInChI=1S/C13H21BrN4O2/c1-3-4-18-13(19)12(14)11(8-16-18)15-7-10-9-17(2)5-6-20-10/h8,10,15H,3-7,9H2,1-2H3
InChIKeyHJQPDYHLMTXGNY-UHFFFAOYSA-N
MW345.24 g/mol
LogP1.16
Rot. Bonds5

About 4-bromo-5-[(4-methylmorpholin-2-yl)methylamino]-2-propylpyridazin-3-one

4-bromo-5-[(4-methylmorpholin-2-yl)methylamino]-2-propylpyridazin-3-one (PubChem CID 114439861) has the molecular formula C13H21BrN4O2 and a molecular weight of 345.24 g/mol. Its IUPAC name is 4-bromo-5-[(4-methylmorpholin-2-yl)methylamino]-2-propylpyridazin-3-one.

Molecular Properties

Compound Name4-bromo-5-[(4-methylmorpholin-2-yl)methylamino]-2-propylpyridazin-3-one
PubChem CID114439861
Molecular FormulaC13H21BrN4O2
Molecular Weight345.24 g/mol
Exact Mass344.08
IUPAC Name4-bromo-5-[(4-methylmorpholin-2-yl)methylamino]-2-propylpyridazin-3-one
SMILESCCCn1ncc(NCC2CN(C)CCO2)c(Br)c1=O
InChIInChI=1S/C13H21BrN4O2/c1-3-4-18-13(19)12(14)11(8-16-18)15-7-10-9-17(2)5-6-20-10/h8,10,15H,3-7,9H2,1-2H3
InChIKeyHJQPDYHLMTXGNY-UHFFFAOYSA-N
XLogP1.16
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.24
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-bromo-2-(cyclopropylmethyl)-5-[(4-methylmorpholin-2-yl)methylamino]pyridazin-3-one
CID 114439863
4-bromo-5-[(3-hydroxycyclopentyl)methylamino]-2-propylpyridazin-3-one
CID 106136679
4-bromo-5-[(3-methylcyclopentyl)methylamino]-2-propylpyridazin-3-one
CID 107414035
4-bromo-5-(morpholin-3-ylmethylamino)-2-propylpyridazin-3-one
CID 103549434
4-bromo-2-[2-(dimethylamino)ethyl]-5-(oxan-2-ylmethylamino)pyridazin-3-one
CID 114436086
4-bromo-2-ethyl-5-[(1-methylpiperidin-4-yl)methylamino]pyridazin-3-one
CID 114436218
4-bromo-5-(2-piperidin-1-ylethylamino)-2-propylpyridazin-3-one
CID 114436057
4-bromo-2-propyl-5-[2-(propylamino)ethylamino]pyridazin-3-one
CID 114444606
4-bromo-5-[(1-methylpyrazol-4-yl)methylamino]-2-propylpyridazin-3-one
CID 114435162
5-[(2-amino-2-ethylbutyl)amino]-4-bromo-2-propylpyridazin-3-one
CID 114446777
4-bromo-5-[[2-(dimethylamino)-2-methylpropyl]amino]-2-propylpyridazin-3-one
CID 114436154
5-chloro-4-[(4-methylmorpholin-2-yl)methylamino]-1H-pyridazin-6-one
CID 78952462

Frequently Asked Questions

What is the IUPAC name of 4-bromo-5-[(4-methylmorpholin-2-yl)methylamino]-2-propylpyridazin-3-one?
The IUPAC name of 4-bromo-5-[(4-methylmorpholin-2-yl)methylamino]-2-propylpyridazin-3-one (CID 114439861) is 4-bromo-5-[(4-methylmorpholin-2-yl)methylamino]-2-propylpyridazin-3-one.
What is the SMILES notation for 4-bromo-5-[(4-methylmorpholin-2-yl)methylamino]-2-propylpyridazin-3-one?
The canonical SMILES for 4-bromo-5-[(4-methylmorpholin-2-yl)methylamino]-2-propylpyridazin-3-one is CCCn1ncc(NCC2CN(C)CCO2)c(Br)c1=O.
What is the InChIKey of 4-bromo-5-[(4-methylmorpholin-2-yl)methylamino]-2-propylpyridazin-3-one?
The InChIKey is HJQPDYHLMTXGNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21BrN4O2/c1-3-4-18-13(19)12(14)11(8-16-18)15-7-10-9-17(2)5-6-20-10/h8,10,15H,3-7,9H2,1-2H3.
What are the key properties of 4-bromo-5-[(4-methylmorpholin-2-yl)methylamino]-2-propylpyridazin-3-one?
4-bromo-5-[(4-methylmorpholin-2-yl)methylamino]-2-propylpyridazin-3-one has a molecular weight of 345.24 g/mol, XLogP of 1.16, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-5-[(4-methylmorpholin-2-yl)methylamino]-2-propylpyridazin-3-one is sourced from PubChem (CID 114439861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).