4-bromo-2-methyl-5-[(2-methylcyclopentyl)methylamino]pyridazin-3-one

C12H18BrN3O — CID 107419227

IUPAC4-bromo-2-methyl-5-[(2-methylcyclopentyl)methylamino]pyridazin-3-one
SMILESCC1CCCC1CNc1cnn(C)c(=O)c1Br
InChIInChI=1S/C12H18BrN3O/c1-8-4-3-5-9(8)6-14-10-7-15-16(2)12(17)11(10)13/h7-9,14H,3-6H2,1-2H3
InChIKeyVJBJVCVRJWQHDO-UHFFFAOYSA-N
MW300.20 g/mol
LogP2.39
Rot. Bonds3

About 4-bromo-2-methyl-5-[(2-methylcyclopentyl)methylamino]pyridazin-3-one

4-bromo-2-methyl-5-[(2-methylcyclopentyl)methylamino]pyridazin-3-one (PubChem CID 107419227) has the molecular formula C12H18BrN3O and a molecular weight of 300.20 g/mol. Its IUPAC name is 4-bromo-2-methyl-5-[(2-methylcyclopentyl)methylamino]pyridazin-3-one.

Molecular Properties

Compound Name4-bromo-2-methyl-5-[(2-methylcyclopentyl)methylamino]pyridazin-3-one
PubChem CID107419227
Molecular FormulaC12H18BrN3O
Molecular Weight300.20 g/mol
Exact Mass299.06
IUPAC Name4-bromo-2-methyl-5-[(2-methylcyclopentyl)methylamino]pyridazin-3-one
SMILESCC1CCCC1CNc1cnn(C)c(=O)c1Br
InChIInChI=1S/C12H18BrN3O/c1-8-4-3-5-9(8)6-14-10-7-15-16(2)12(17)11(10)13/h7-9,14H,3-6H2,1-2H3
InChIKeyVJBJVCVRJWQHDO-UHFFFAOYSA-N
XLogP2.39
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.20
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-bromo-2-(cyclopropylmethyl)-5-[(2-methylcyclohexyl)methylamino]pyridazin-3-one
CID 114436117
4-bromo-5-[[2-(hydroxymethyl)cyclopentyl]amino]-2-methylpyridazin-3-one
CID 113243966
4-bromo-5-[2-(cycloheptylamino)ethylamino]-2-methylpyridazin-3-one
CID 114446788
4-bromo-5-[(2-hydroxycyclopentyl)methylamino]-2-propan-2-ylpyridazin-3-one
CID 114439642
5-[(2-amino-2-cyclopropylethyl)amino]-4-bromo-2-methylpyridazin-3-one
CID 114446694
4-bromo-5-(1,4-diazabicyclo[2.2.2]octan-2-ylmethylamino)-2-methylpyridazin-3-one
CID 133399635
5-[2-(azepan-1-yl)ethylamino]-4-bromo-2-methylpyridazin-3-one
CID 115624040
4-bromo-2-methyl-5-[(1-methylcyclobutyl)methylamino]pyridazin-3-one
CID 103736991
4-bromo-5-[(2-hydroxycyclohexyl)methylamino]-2-propan-2-ylpyridazin-3-one
CID 114439093
4-bromo-5-[(4-hydroxycyclohexyl)amino]-2-methylpyridazin-3-one
CID 103844308
4-bromo-2-methyl-5-[(1-methylpyrazol-4-yl)methylamino]pyridazin-3-one
CID 115624125
4-bromo-2-methyl-5-(2-pyrrolidin-1-ylpropylamino)pyridazin-3-one
CID 113235058

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-methyl-5-[(2-methylcyclopentyl)methylamino]pyridazin-3-one?
The IUPAC name of 4-bromo-2-methyl-5-[(2-methylcyclopentyl)methylamino]pyridazin-3-one (CID 107419227) is 4-bromo-2-methyl-5-[(2-methylcyclopentyl)methylamino]pyridazin-3-one.
What is the SMILES notation for 4-bromo-2-methyl-5-[(2-methylcyclopentyl)methylamino]pyridazin-3-one?
The canonical SMILES for 4-bromo-2-methyl-5-[(2-methylcyclopentyl)methylamino]pyridazin-3-one is CC1CCCC1CNc1cnn(C)c(=O)c1Br.
What is the InChIKey of 4-bromo-2-methyl-5-[(2-methylcyclopentyl)methylamino]pyridazin-3-one?
The InChIKey is VJBJVCVRJWQHDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18BrN3O/c1-8-4-3-5-9(8)6-14-10-7-15-16(2)12(17)11(10)13/h7-9,14H,3-6H2,1-2H3.
What are the key properties of 4-bromo-2-methyl-5-[(2-methylcyclopentyl)methylamino]pyridazin-3-one?
4-bromo-2-methyl-5-[(2-methylcyclopentyl)methylamino]pyridazin-3-one has a molecular weight of 300.20 g/mol, XLogP of 2.39, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-methyl-5-[(2-methylcyclopentyl)methylamino]pyridazin-3-one is sourced from PubChem (CID 107419227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).