5-[2-aminoethyl(methyl)amino]-4-bromo-2-(2-methylpropyl)pyridazin-3-one

C11H19BrN4O — CID 114444666

IUPAC5-[2-aminoethyl(methyl)amino]-4-bromo-2-(2-methylpropyl)pyridazin-3-one
SMILESCC(C)Cn1ncc(N(C)CCN)c(Br)c1=O
InChIInChI=1S/C11H19BrN4O/c1-8(2)7-16-11(17)10(12)9(6-14-16)15(3)5-4-13/h6,8H,4-5,7,13H2,1-3H3
InChIKeyACKHOXZVNTWFFN-UHFFFAOYSA-N
MW303.20 g/mol
LogP1.06
Rot. Bonds5

About 5-[2-aminoethyl(methyl)amino]-4-bromo-2-(2-methylpropyl)pyridazin-3-one

5-[2-aminoethyl(methyl)amino]-4-bromo-2-(2-methylpropyl)pyridazin-3-one (PubChem CID 114444666) has the molecular formula C11H19BrN4O and a molecular weight of 303.20 g/mol. Its IUPAC name is 5-[2-aminoethyl(methyl)amino]-4-bromo-2-(2-methylpropyl)pyridazin-3-one.

Molecular Properties

Compound Name5-[2-aminoethyl(methyl)amino]-4-bromo-2-(2-methylpropyl)pyridazin-3-one
PubChem CID114444666
Molecular FormulaC11H19BrN4O
Molecular Weight303.20 g/mol
Exact Mass302.07
IUPAC Name5-[2-aminoethyl(methyl)amino]-4-bromo-2-(2-methylpropyl)pyridazin-3-one
SMILESCC(C)Cn1ncc(N(C)CCN)c(Br)c1=O
InChIInChI=1S/C11H19BrN4O/c1-8(2)7-16-11(17)10(12)9(6-14-16)15(3)5-4-13/h6,8H,4-5,7,13H2,1-3H3
InChIKeyACKHOXZVNTWFFN-UHFFFAOYSA-N
XLogP1.06
TPSA64.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.20
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-[3-aminopropyl(methyl)amino]-4-bromo-2-[2-(dimethylamino)ethyl]pyridazin-3-one
CID 114447043
5-[(4-aminocyclohexyl)-methylamino]-4-bromo-2-(2-methylpropyl)pyridazin-3-one
CID 114443752
5-[(3-amino-4-methylpentyl)-methylamino]-4-bromo-2-prop-2-enylpyridazin-3-one
CID 114447008
5-[azepan-4-yl(methyl)amino]-4-bromo-2-(2-methylpropyl)pyridazin-3-one
CID 107174264
5-[2-aminoethyl(methyl)amino]-4-chloro-2-propan-2-ylpyridazin-3-one
CID 114444670
5-[2-aminoethyl(methyl)amino]-4-chloro-2-propylpyridazin-3-one
CID 114444669
4-bromo-5-[[1-(dimethylamino)-3-methylbutan-2-yl]amino]-2-(2-methylpropyl)pyridazin-3-one
CID 114435658
2-[[5-bromo-1-(2-methylpropyl)-6-oxopyridazin-4-yl]amino]-N,N-dimethylacetamide
CID 114433014
5-[(2-amino-2-cyclopropylethyl)amino]-4-bromo-2-(2-methylpropyl)pyridazin-3-one
CID 114446681
4-bromo-5-[2-[2-methoxyethyl(methyl)amino]ethylamino]-2-(2-methylpropyl)pyridazin-3-one
CID 114437435
4-bromo-5-(4-methylpentylamino)-2-(2-methylpropyl)pyridazin-3-one
CID 114434648
ethyl 2-[[5-bromo-1-(2-methylpropyl)-6-oxopyridazin-4-yl]amino]propanoate
CID 114435725

Frequently Asked Questions

What is the IUPAC name of 5-[2-aminoethyl(methyl)amino]-4-bromo-2-(2-methylpropyl)pyridazin-3-one?
The IUPAC name of 5-[2-aminoethyl(methyl)amino]-4-bromo-2-(2-methylpropyl)pyridazin-3-one (CID 114444666) is 5-[2-aminoethyl(methyl)amino]-4-bromo-2-(2-methylpropyl)pyridazin-3-one.
What is the SMILES notation for 5-[2-aminoethyl(methyl)amino]-4-bromo-2-(2-methylpropyl)pyridazin-3-one?
The canonical SMILES for 5-[2-aminoethyl(methyl)amino]-4-bromo-2-(2-methylpropyl)pyridazin-3-one is CC(C)Cn1ncc(N(C)CCN)c(Br)c1=O.
What is the InChIKey of 5-[2-aminoethyl(methyl)amino]-4-bromo-2-(2-methylpropyl)pyridazin-3-one?
The InChIKey is ACKHOXZVNTWFFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19BrN4O/c1-8(2)7-16-11(17)10(12)9(6-14-16)15(3)5-4-13/h6,8H,4-5,7,13H2,1-3H3.
What are the key properties of 5-[2-aminoethyl(methyl)amino]-4-bromo-2-(2-methylpropyl)pyridazin-3-one?
5-[2-aminoethyl(methyl)amino]-4-bromo-2-(2-methylpropyl)pyridazin-3-one has a molecular weight of 303.20 g/mol, XLogP of 1.06, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-aminoethyl(methyl)amino]-4-bromo-2-(2-methylpropyl)pyridazin-3-one is sourced from PubChem (CID 114444666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).