5-[(4-aminocyclohexyl)-methylamino]-4-bromo-2-(2-methylpropyl)pyridazin-3-one

C15H25BrN4O — CID 114443752

IUPAC5-[(4-aminocyclohexyl)-methylamino]-4-bromo-2-(2-methylpropyl)pyridazin-3-one
SMILESCC(C)Cn1ncc(N(C)C2CCC(N)CC2)c(Br)c1=O
InChIInChI=1S/C15H25BrN4O/c1-10(2)9-20-15(21)14(16)13(8-18-20)19(3)12-6-4-11(17)5-7-12/h8,10-12H,4-7,9,17H2,1-3H3
InChIKeyLSWCBBMIYXNYMR-UHFFFAOYSA-N
MW357.30 g/mol
LogP2.37
Rot. Bonds4

About 5-[(4-aminocyclohexyl)-methylamino]-4-bromo-2-(2-methylpropyl)pyridazin-3-one

5-[(4-aminocyclohexyl)-methylamino]-4-bromo-2-(2-methylpropyl)pyridazin-3-one (PubChem CID 114443752) has the molecular formula C15H25BrN4O and a molecular weight of 357.30 g/mol. Its IUPAC name is 5-[(4-aminocyclohexyl)-methylamino]-4-bromo-2-(2-methylpropyl)pyridazin-3-one.

Molecular Properties

Compound Name5-[(4-aminocyclohexyl)-methylamino]-4-bromo-2-(2-methylpropyl)pyridazin-3-one
PubChem CID114443752
Molecular FormulaC15H25BrN4O
Molecular Weight357.30 g/mol
Exact Mass356.12
IUPAC Name5-[(4-aminocyclohexyl)-methylamino]-4-bromo-2-(2-methylpropyl)pyridazin-3-one
SMILESCC(C)Cn1ncc(N(C)C2CCC(N)CC2)c(Br)c1=O
InChIInChI=1S/C15H25BrN4O/c1-10(2)9-20-15(21)14(16)13(8-18-20)19(3)12-6-4-11(17)5-7-12/h8,10-12H,4-7,9,17H2,1-3H3
InChIKeyLSWCBBMIYXNYMR-UHFFFAOYSA-N
XLogP2.37
TPSA64.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.30
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-[(4-aminocyclohexyl)-methylamino]-4-bromo-2-propylpyridazin-3-one
CID 114443755
5-[azepan-4-yl(methyl)amino]-4-bromo-2-(2-methylpropyl)pyridazin-3-one
CID 107174264
5-[2-aminoethyl(methyl)amino]-4-bromo-2-(2-methylpropyl)pyridazin-3-one
CID 114444666
4-bromo-2-methyl-5-[methyl-(4-methylcyclohexyl)amino]pyridazin-3-one
CID 133302978
4-bromo-2-(2-hydroxyethyl)-5-[methyl(pyrrolidin-3-yl)amino]pyridazin-3-one
CID 114444964
5-[(2-amino-2-cyclopropylethyl)amino]-4-bromo-2-(2-methylpropyl)pyridazin-3-one
CID 114446681
5-(8-azabicyclo[3.2.1]octan-3-ylamino)-4-bromo-2-(2-methylpropyl)pyridazin-3-one
CID 114444194
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
4-bromo-2-(2-methylpropyl)-5-(2-pyrrolidin-3-ylethylamino)pyridazin-3-one
CID 114445066
4-bromo-2-(2-methylpropyl)-5-(piperidin-3-ylamino)pyridazin-3-one
CID 114445023
5-[(4-aminocyclohexyl)-ethylamino]-4-chloro-2-propylpyridazin-3-one
CID 114446229

Frequently Asked Questions

What is the IUPAC name of 5-[(4-aminocyclohexyl)-methylamino]-4-bromo-2-(2-methylpropyl)pyridazin-3-one?
The IUPAC name of 5-[(4-aminocyclohexyl)-methylamino]-4-bromo-2-(2-methylpropyl)pyridazin-3-one (CID 114443752) is 5-[(4-aminocyclohexyl)-methylamino]-4-bromo-2-(2-methylpropyl)pyridazin-3-one.
What is the SMILES notation for 5-[(4-aminocyclohexyl)-methylamino]-4-bromo-2-(2-methylpropyl)pyridazin-3-one?
The canonical SMILES for 5-[(4-aminocyclohexyl)-methylamino]-4-bromo-2-(2-methylpropyl)pyridazin-3-one is CC(C)Cn1ncc(N(C)C2CCC(N)CC2)c(Br)c1=O.
What is the InChIKey of 5-[(4-aminocyclohexyl)-methylamino]-4-bromo-2-(2-methylpropyl)pyridazin-3-one?
The InChIKey is LSWCBBMIYXNYMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25BrN4O/c1-10(2)9-20-15(21)14(16)13(8-18-20)19(3)12-6-4-11(17)5-7-12/h8,10-12H,4-7,9,17H2,1-3H3.
What are the key properties of 5-[(4-aminocyclohexyl)-methylamino]-4-bromo-2-(2-methylpropyl)pyridazin-3-one?
5-[(4-aminocyclohexyl)-methylamino]-4-bromo-2-(2-methylpropyl)pyridazin-3-one has a molecular weight of 357.30 g/mol, XLogP of 2.37, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-aminocyclohexyl)-methylamino]-4-bromo-2-(2-methylpropyl)pyridazin-3-one is sourced from PubChem (CID 114443752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).