4-bromo-2-[2-(dimethylamino)ethyl]-5-(oxan-2-ylmethylamino)pyridazin-3-one

C14H23BrN4O2 — CID 114436086

IUPAC4-bromo-2-[2-(dimethylamino)ethyl]-5-(oxan-2-ylmethylamino)pyridazin-3-one
SMILESCN(C)CCn1ncc(NCC2CCCCO2)c(Br)c1=O
InChIInChI=1S/C14H23BrN4O2/c1-18(2)6-7-19-14(20)13(15)12(10-17-19)16-9-11-5-3-4-8-21-11/h10-11,16H,3-9H2,1-2H3
InChIKeyPMUFRNXUWLMCGY-UHFFFAOYSA-N
MW359.27 g/mol
LogP1.55
Rot. Bonds6

About 4-bromo-2-[2-(dimethylamino)ethyl]-5-(oxan-2-ylmethylamino)pyridazin-3-one

4-bromo-2-[2-(dimethylamino)ethyl]-5-(oxan-2-ylmethylamino)pyridazin-3-one (PubChem CID 114436086) has the molecular formula C14H23BrN4O2 and a molecular weight of 359.27 g/mol. Its IUPAC name is 4-bromo-2-[2-(dimethylamino)ethyl]-5-(oxan-2-ylmethylamino)pyridazin-3-one.

Molecular Properties

Compound Name4-bromo-2-[2-(dimethylamino)ethyl]-5-(oxan-2-ylmethylamino)pyridazin-3-one
PubChem CID114436086
Molecular FormulaC14H23BrN4O2
Molecular Weight359.27 g/mol
Exact Mass358.10
IUPAC Name4-bromo-2-[2-(dimethylamino)ethyl]-5-(oxan-2-ylmethylamino)pyridazin-3-one
SMILESCN(C)CCn1ncc(NCC2CCCCO2)c(Br)c1=O
InChIInChI=1S/C14H23BrN4O2/c1-18(2)6-7-19-14(20)13(15)12(10-17-19)16-9-11-5-3-4-8-21-11/h10-11,16H,3-9H2,1-2H3
InChIKeyPMUFRNXUWLMCGY-UHFFFAOYSA-N
XLogP1.55
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 ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-bromo-5-(2-cyclopropylethylamino)-2-[2-(dimethylamino)ethyl]pyridazin-3-one
CID 114439471
2-butyl-4-chloro-5-(oxan-2-ylmethylamino)pyridazin-3-one
CID 114436083
4-bromo-5-[(4-methylmorpholin-2-yl)methylamino]-2-propylpyridazin-3-one
CID 114439861
5-[(2-aminocyclohexyl)amino]-4-bromo-2-[2-(dimethylamino)ethyl]pyridazin-3-one
CID 114444160
4-bromo-2-(cyclopropylmethyl)-5-[(4-methylmorpholin-2-yl)methylamino]pyridazin-3-one
CID 114439863
4-chloro-2-[2-(dimethylamino)ethyl]-5-(morpholin-2-ylmethylamino)pyridazin-3-one
CID 114447048
4-bromo-2-[2-(dimethylamino)ethyl]-5-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]pyridazin-3-one
CID 106402588
2-[[5-bromo-1-[2-(dimethylamino)ethyl]-6-oxopyridazin-4-yl]amino]-N,N-dimethylacetamide
CID 114433019
methyl 2-[[5-bromo-1-[2-(dimethylamino)ethyl]-6-oxopyridazin-4-yl]amino]acetate
CID 114432337
4-bromo-2-(2-methylpropyl)-5-[2-(oxolan-2-yl)ethylamino]pyridazin-3-one
CID 114434695
5-[(3-aminocyclobutyl)amino]-4-bromo-2-[2-(dimethylamino)ethyl]pyridazin-3-one
CID 114443949
4-bromo-5-(cyclohex-3-en-1-ylamino)-2-[2-(dimethylamino)ethyl]pyridazin-3-one
CID 114439532

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-[2-(dimethylamino)ethyl]-5-(oxan-2-ylmethylamino)pyridazin-3-one?
The IUPAC name of 4-bromo-2-[2-(dimethylamino)ethyl]-5-(oxan-2-ylmethylamino)pyridazin-3-one (CID 114436086) is 4-bromo-2-[2-(dimethylamino)ethyl]-5-(oxan-2-ylmethylamino)pyridazin-3-one.
What is the SMILES notation for 4-bromo-2-[2-(dimethylamino)ethyl]-5-(oxan-2-ylmethylamino)pyridazin-3-one?
The canonical SMILES for 4-bromo-2-[2-(dimethylamino)ethyl]-5-(oxan-2-ylmethylamino)pyridazin-3-one is CN(C)CCn1ncc(NCC2CCCCO2)c(Br)c1=O.
What is the InChIKey of 4-bromo-2-[2-(dimethylamino)ethyl]-5-(oxan-2-ylmethylamino)pyridazin-3-one?
The InChIKey is PMUFRNXUWLMCGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23BrN4O2/c1-18(2)6-7-19-14(20)13(15)12(10-17-19)16-9-11-5-3-4-8-21-11/h10-11,16H,3-9H2,1-2H3.
What are the key properties of 4-bromo-2-[2-(dimethylamino)ethyl]-5-(oxan-2-ylmethylamino)pyridazin-3-one?
4-bromo-2-[2-(dimethylamino)ethyl]-5-(oxan-2-ylmethylamino)pyridazin-3-one has a molecular weight of 359.27 g/mol, XLogP of 1.55, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-[2-(dimethylamino)ethyl]-5-(oxan-2-ylmethylamino)pyridazin-3-one is sourced from PubChem (CID 114436086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).