5-[[2-(aminomethyl)cyclopentyl]-methylamino]-4-bromo-2-methylpyridazin-3-one

C12H19BrN4O — CID 114445933

IUPAC5-[[2-(aminomethyl)cyclopentyl]-methylamino]-4-bromo-2-methylpyridazin-3-one
SMILESCN(c1cnn(C)c(=O)c1Br)C1CCCC1CN
InChIInChI=1S/C12H19BrN4O/c1-16(9-5-3-4-8(9)6-14)10-7-15-17(2)12(18)11(10)13/h7-9H,3-6,14H2,1-2H3
InChIKeyTZZQFQUGBGCJHN-UHFFFAOYSA-N
MW315.22 g/mol
LogP1.11
Rot. Bonds3

About 5-[[2-(aminomethyl)cyclopentyl]-methylamino]-4-bromo-2-methylpyridazin-3-one

5-[[2-(aminomethyl)cyclopentyl]-methylamino]-4-bromo-2-methylpyridazin-3-one (PubChem CID 114445933) has the molecular formula C12H19BrN4O and a molecular weight of 315.22 g/mol. Its IUPAC name is 5-[[2-(aminomethyl)cyclopentyl]-methylamino]-4-bromo-2-methylpyridazin-3-one.

Molecular Properties

Compound Name5-[[2-(aminomethyl)cyclopentyl]-methylamino]-4-bromo-2-methylpyridazin-3-one
PubChem CID114445933
Molecular FormulaC12H19BrN4O
Molecular Weight315.22 g/mol
Exact Mass314.07
IUPAC Name5-[[2-(aminomethyl)cyclopentyl]-methylamino]-4-bromo-2-methylpyridazin-3-one
SMILESCN(c1cnn(C)c(=O)c1Br)C1CCCC1CN
InChIInChI=1S/C12H19BrN4O/c1-16(9-5-3-4-8(9)6-14)10-7-15-17(2)12(18)11(10)13/h7-9H,3-6,14H2,1-2H3
InChIKeyTZZQFQUGBGCJHN-UHFFFAOYSA-N
XLogP1.11
TPSA64.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.22
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-[[2-(aminomethyl)cyclopentyl]-ethylamino]-4-bromo-2-(2-hydroxyethyl)pyridazin-3-one
CID 114445942
4-bromo-2-methyl-5-[methyl-(4-methylcyclohexyl)amino]pyridazin-3-one
CID 133302978
4-bromo-2-methyl-5-[(2-methylcyclopentyl)methylamino]pyridazin-3-one
CID 107419227
N-[2-(aminomethyl)cyclopentyl]-3-bromo-N-methyl-5-nitropyridin-2-amine
CID 79524147
4-bromo-5-[[2-(hydroxymethyl)cyclopentyl]amino]-2-methylpyridazin-3-one
CID 113243966
5-[(4-aminocyclohexyl)-methylamino]-4-bromo-2-propylpyridazin-3-one
CID 114443755
3-[(5-bromo-1-methyl-6-oxopyridazin-4-yl)-methylamino]propanoic acid
CID 122059457
N-[2-(aminomethyl)cyclopentyl]-5-bromo-N-methyl-3-(trifluoromethyl)pyridin-2-amine
CID 106796576
5-[2-(aminomethyl)-4-methylpiperidin-1-yl]-4-bromo-2-methylpyridazin-3-one
CID 103442526
5-[2-aminoethyl(benzyl)amino]-4-bromo-2-methylpyridazin-3-one
CID 106511811
5-[4-(2-aminoethyl)piperidin-1-yl]-4-bromo-2-methylpyridazin-3-one
CID 114445498
4-bromo-5-[(5-bromothiophen-2-yl)methyl-methylamino]-2-methylpyridazin-3-one
CID 133302962

Frequently Asked Questions

What is the IUPAC name of 5-[[2-(aminomethyl)cyclopentyl]-methylamino]-4-bromo-2-methylpyridazin-3-one?
The IUPAC name of 5-[[2-(aminomethyl)cyclopentyl]-methylamino]-4-bromo-2-methylpyridazin-3-one (CID 114445933) is 5-[[2-(aminomethyl)cyclopentyl]-methylamino]-4-bromo-2-methylpyridazin-3-one.
What is the SMILES notation for 5-[[2-(aminomethyl)cyclopentyl]-methylamino]-4-bromo-2-methylpyridazin-3-one?
The canonical SMILES for 5-[[2-(aminomethyl)cyclopentyl]-methylamino]-4-bromo-2-methylpyridazin-3-one is CN(c1cnn(C)c(=O)c1Br)C1CCCC1CN.
What is the InChIKey of 5-[[2-(aminomethyl)cyclopentyl]-methylamino]-4-bromo-2-methylpyridazin-3-one?
The InChIKey is TZZQFQUGBGCJHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19BrN4O/c1-16(9-5-3-4-8(9)6-14)10-7-15-17(2)12(18)11(10)13/h7-9H,3-6,14H2,1-2H3.
What are the key properties of 5-[[2-(aminomethyl)cyclopentyl]-methylamino]-4-bromo-2-methylpyridazin-3-one?
5-[[2-(aminomethyl)cyclopentyl]-methylamino]-4-bromo-2-methylpyridazin-3-one has a molecular weight of 315.22 g/mol, XLogP of 1.11, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[2-(aminomethyl)cyclopentyl]-methylamino]-4-bromo-2-methylpyridazin-3-one is sourced from PubChem (CID 114445933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).