5-[3-(1-aminoethyl)piperidin-1-yl]-4-bromo-2-propylpyridazin-3-one

C14H23BrN4O — CID 114443644

IUPAC5-[3-(1-aminoethyl)piperidin-1-yl]-4-bromo-2-propylpyridazin-3-one
SMILESCCCn1ncc(N2CCCC(C(C)N)C2)c(Br)c1=O
InChIInChI=1S/C14H23BrN4O/c1-3-6-19-14(20)13(15)12(8-17-19)18-7-4-5-11(9-18)10(2)16/h8,10-11H,3-7,9,16H2,1-2H3
InChIKeyTVZSOLBGOAXKPJ-UHFFFAOYSA-N
MW343.27 g/mol
LogP1.98
Rot. Bonds4

About 5-[3-(1-aminoethyl)piperidin-1-yl]-4-bromo-2-propylpyridazin-3-one

5-[3-(1-aminoethyl)piperidin-1-yl]-4-bromo-2-propylpyridazin-3-one (PubChem CID 114443644) has the molecular formula C14H23BrN4O and a molecular weight of 343.27 g/mol. Its IUPAC name is 5-[3-(1-aminoethyl)piperidin-1-yl]-4-bromo-2-propylpyridazin-3-one.

Molecular Properties

Compound Name5-[3-(1-aminoethyl)piperidin-1-yl]-4-bromo-2-propylpyridazin-3-one
PubChem CID114443644
Molecular FormulaC14H23BrN4O
Molecular Weight343.27 g/mol
Exact Mass342.11
IUPAC Name5-[3-(1-aminoethyl)piperidin-1-yl]-4-bromo-2-propylpyridazin-3-one
SMILESCCCn1ncc(N2CCCC(C(C)N)C2)c(Br)c1=O
InChIInChI=1S/C14H23BrN4O/c1-3-6-19-14(20)13(15)12(8-17-19)18-7-4-5-11(9-18)10(2)16/h8,10-11H,3-7,9,16H2,1-2H3
InChIKeyTVZSOLBGOAXKPJ-UHFFFAOYSA-N
XLogP1.98
TPSA64.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.27
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-[3-(1-aminoethyl)piperidin-1-yl]-4-bromo-2-ethylpyridazin-3-one
CID 114443647
methyl 2-[4-[3-(1-aminoethyl)pyrrolidin-1-yl]-5-bromo-6-oxopyridazin-1-yl]acetate
CID 114447156
5-(4-amino-3-ethylpiperidin-1-yl)-4-bromo-2-propylpyridazin-3-one
CID 114446601
4-bromo-5-(3,9-diazabicyclo[4.2.1]nonan-3-yl)-2-propylpyridazin-3-one
CID 114446954
5-[3-(1-aminoethyl)pyrrolidin-1-yl]-4-chloro-2-methylpyridazin-3-one
CID 114447140
5-[3-(aminomethyl)piperidin-1-yl]-4-chloro-2-propylpyridazin-3-one
CID 114444360
5-[2-(1-aminoethyl)morpholin-4-yl]-4-bromo-2-(2-methoxyethyl)pyridazin-3-one
CID 114446970
1-[1-(2-propylsulfonylphenyl)piperidin-3-yl]ethanamine
CID 63852987
4-bromo-2-ethyl-5-[4-[1-(methylamino)ethyl]piperidin-1-yl]pyridazin-3-one
CID 114443681
5-(3-amino-4-methylpyrrolidin-1-yl)-4-bromo-2-butylpyridazin-3-one
CID 103577536
4-bromo-5-(cyclooctylamino)-2-propylpyridazin-3-one
CID 114432224
1-(5-bromo-1-methyl-6-oxopyridazin-4-yl)piperidine-3-carboxamide
CID 133302913

Frequently Asked Questions

What is the IUPAC name of 5-[3-(1-aminoethyl)piperidin-1-yl]-4-bromo-2-propylpyridazin-3-one?
The IUPAC name of 5-[3-(1-aminoethyl)piperidin-1-yl]-4-bromo-2-propylpyridazin-3-one (CID 114443644) is 5-[3-(1-aminoethyl)piperidin-1-yl]-4-bromo-2-propylpyridazin-3-one.
What is the SMILES notation for 5-[3-(1-aminoethyl)piperidin-1-yl]-4-bromo-2-propylpyridazin-3-one?
The canonical SMILES for 5-[3-(1-aminoethyl)piperidin-1-yl]-4-bromo-2-propylpyridazin-3-one is CCCn1ncc(N2CCCC(C(C)N)C2)c(Br)c1=O.
What is the InChIKey of 5-[3-(1-aminoethyl)piperidin-1-yl]-4-bromo-2-propylpyridazin-3-one?
The InChIKey is TVZSOLBGOAXKPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23BrN4O/c1-3-6-19-14(20)13(15)12(8-17-19)18-7-4-5-11(9-18)10(2)16/h8,10-11H,3-7,9,16H2,1-2H3.
What are the key properties of 5-[3-(1-aminoethyl)piperidin-1-yl]-4-bromo-2-propylpyridazin-3-one?
5-[3-(1-aminoethyl)piperidin-1-yl]-4-bromo-2-propylpyridazin-3-one has a molecular weight of 343.27 g/mol, XLogP of 1.98, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(1-aminoethyl)piperidin-1-yl]-4-bromo-2-propylpyridazin-3-one is sourced from PubChem (CID 114443644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).