4-bromo-2-methyl-5-(2-pyrrolidin-1-ylpropylamino)pyridazin-3-one

C12H19BrN4O — CID 113235058

IUPAC4-bromo-2-methyl-5-(2-pyrrolidin-1-ylpropylamino)pyridazin-3-one
SMILESCC(CNc1cnn(C)c(=O)c1Br)N1CCCC1
InChIInChI=1S/C12H19BrN4O/c1-9(17-5-3-4-6-17)7-14-10-8-15-16(2)12(18)11(10)13/h8-9,14H,3-7H2,1-2H3
InChIKeyNJWIVGYHJKNTIK-UHFFFAOYSA-N
MW315.22 g/mol
LogP1.44
Rot. Bonds4

About 4-bromo-2-methyl-5-(2-pyrrolidin-1-ylpropylamino)pyridazin-3-one

4-bromo-2-methyl-5-(2-pyrrolidin-1-ylpropylamino)pyridazin-3-one (PubChem CID 113235058) has the molecular formula C12H19BrN4O and a molecular weight of 315.22 g/mol. Its IUPAC name is 4-bromo-2-methyl-5-(2-pyrrolidin-1-ylpropylamino)pyridazin-3-one.

Molecular Properties

Compound Name4-bromo-2-methyl-5-(2-pyrrolidin-1-ylpropylamino)pyridazin-3-one
PubChem CID113235058
Molecular FormulaC12H19BrN4O
Molecular Weight315.22 g/mol
Exact Mass314.07
IUPAC Name4-bromo-2-methyl-5-(2-pyrrolidin-1-ylpropylamino)pyridazin-3-one
SMILESCC(CNc1cnn(C)c(=O)c1Br)N1CCCC1
InChIInChI=1S/C12H19BrN4O/c1-9(17-5-3-4-6-17)7-14-10-8-15-16(2)12(18)11(10)13/h8-9,14H,3-7H2,1-2H3
InChIKeyNJWIVGYHJKNTIK-UHFFFAOYSA-N
XLogP1.44
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.22
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-bromo-2-methyl-5-(2-methylsulfinylpropylamino)pyridazin-3-one
CID 115764304
4-bromo-2-methyl-5-[[2-methyl-3-(methylamino)propyl]amino]pyridazin-3-one
CID 114446718
5-[2-(azepan-1-yl)ethylamino]-4-bromo-2-methylpyridazin-3-one
CID 115624040
5-[(2-amino-2-cyclopropylethyl)amino]-4-bromo-2-methylpyridazin-3-one
CID 114446694
4-chloro-2-ethyl-5-(2-pyrrolidin-1-ylpropylamino)pyridazin-3-one
CID 114440604
4-bromo-5-(butan-2-ylamino)-2-methylpyridazin-3-one
CID 115623899
4-bromo-2-methyl-5-[(1-methylcyclobutyl)methylamino]pyridazin-3-one
CID 103736991
4-bromo-5-[2-(cycloheptylamino)ethylamino]-2-methylpyridazin-3-one
CID 114446788
4-bromo-5-(but-3-ynylamino)-2-methylpyridazin-3-one
CID 115625317
4-bromo-5-[[1-(hydroxymethyl)cyclohexyl]methylamino]-2-methylpyridazin-3-one
CID 115682958
4-bromo-2-methyl-5-[(1-methylpyrazol-4-yl)methylamino]pyridazin-3-one
CID 115624125
4-bromo-5-[(1-ethylcyclobutyl)methylamino]-2-methylpyridazin-3-one
CID 103741790

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-methyl-5-(2-pyrrolidin-1-ylpropylamino)pyridazin-3-one?
The IUPAC name of 4-bromo-2-methyl-5-(2-pyrrolidin-1-ylpropylamino)pyridazin-3-one (CID 113235058) is 4-bromo-2-methyl-5-(2-pyrrolidin-1-ylpropylamino)pyridazin-3-one.
What is the SMILES notation for 4-bromo-2-methyl-5-(2-pyrrolidin-1-ylpropylamino)pyridazin-3-one?
The canonical SMILES for 4-bromo-2-methyl-5-(2-pyrrolidin-1-ylpropylamino)pyridazin-3-one is CC(CNc1cnn(C)c(=O)c1Br)N1CCCC1.
What is the InChIKey of 4-bromo-2-methyl-5-(2-pyrrolidin-1-ylpropylamino)pyridazin-3-one?
The InChIKey is NJWIVGYHJKNTIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19BrN4O/c1-9(17-5-3-4-6-17)7-14-10-8-15-16(2)12(18)11(10)13/h8-9,14H,3-7H2,1-2H3.
What are the key properties of 4-bromo-2-methyl-5-(2-pyrrolidin-1-ylpropylamino)pyridazin-3-one?
4-bromo-2-methyl-5-(2-pyrrolidin-1-ylpropylamino)pyridazin-3-one has a molecular weight of 315.22 g/mol, XLogP of 1.44, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-methyl-5-(2-pyrrolidin-1-ylpropylamino)pyridazin-3-one is sourced from PubChem (CID 113235058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).