5-(4-amino-3-ethylpiperidin-1-yl)-4-bromo-2-propylpyridazin-3-one

C14H23BrN4O — CID 114446601

IUPAC5-(4-amino-3-ethylpiperidin-1-yl)-4-bromo-2-propylpyridazin-3-one
SMILESCCCn1ncc(N2CCC(N)C(CC)C2)c(Br)c1=O
InChIInChI=1S/C14H23BrN4O/c1-3-6-19-14(20)13(15)12(8-17-19)18-7-5-11(16)10(4-2)9-18/h8,10-11H,3-7,9,16H2,1-2H3
InChIKeyZQDJYGBSVXZDSZ-UHFFFAOYSA-N
MW343.27 g/mol
LogP1.98
Rot. Bonds4

About 5-(4-amino-3-ethylpiperidin-1-yl)-4-bromo-2-propylpyridazin-3-one

5-(4-amino-3-ethylpiperidin-1-yl)-4-bromo-2-propylpyridazin-3-one (PubChem CID 114446601) has the molecular formula C14H23BrN4O and a molecular weight of 343.27 g/mol. Its IUPAC name is 5-(4-amino-3-ethylpiperidin-1-yl)-4-bromo-2-propylpyridazin-3-one.

Molecular Properties

Compound Name5-(4-amino-3-ethylpiperidin-1-yl)-4-bromo-2-propylpyridazin-3-one
PubChem CID114446601
Molecular FormulaC14H23BrN4O
Molecular Weight343.27 g/mol
Exact Mass342.11
IUPAC Name5-(4-amino-3-ethylpiperidin-1-yl)-4-bromo-2-propylpyridazin-3-one
SMILESCCCn1ncc(N2CCC(N)C(CC)C2)c(Br)c1=O
InChIInChI=1S/C14H23BrN4O/c1-3-6-19-14(20)13(15)12(8-17-19)18-7-5-11(16)10(4-2)9-18/h8,10-11H,3-7,9,16H2,1-2H3
InChIKeyZQDJYGBSVXZDSZ-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-(4-amino-3-ethylpiperidin-1-yl)-4-bromo-2-prop-2-enylpyridazin-3-one
CID 114446590
5-(4-amino-3-ethylpiperidin-1-yl)-2-butyl-4-chloropyridazin-3-one
CID 114446592
4-bromo-5-(3,9-diazabicyclo[4.2.1]nonan-3-yl)-2-propylpyridazin-3-one
CID 114446954
5-(4-amino-3-ethylpiperidin-1-yl)-4-chloro-2-ethylpyridazin-3-one
CID 114446594
5-(3-amino-4-methylpiperidin-1-yl)-4-bromo-2-(2-hydroxyethyl)pyridazin-3-one
CID 114445381
5-[3-(1-aminoethyl)piperidin-1-yl]-4-bromo-2-propylpyridazin-3-one
CID 114443644
5-(3-amino-4-methylpiperidin-1-yl)-4-bromo-2-(2-methoxyethyl)pyridazin-3-one
CID 114445372
5-(3-amino-4-methylpyrrolidin-1-yl)-4-bromo-2-butylpyridazin-3-one
CID 103577536
4-bromo-2-(2-hydroxyethyl)-5-[4-(methylamino)piperidin-1-yl]pyridazin-3-one
CID 114443580
3-(4-amino-3-ethylpiperidin-1-yl)-1-propylpyrazin-2-one
CID 81459890
5-(3-aminoazetidin-1-yl)-4-chloro-2-propylpyridazin-3-one
CID 114445742
4-bromo-2-(2-hydroxyethyl)-5-(3-methylpiperazin-1-yl)pyridazin-3-one
CID 114445774

Frequently Asked Questions

What is the IUPAC name of 5-(4-amino-3-ethylpiperidin-1-yl)-4-bromo-2-propylpyridazin-3-one?
The IUPAC name of 5-(4-amino-3-ethylpiperidin-1-yl)-4-bromo-2-propylpyridazin-3-one (CID 114446601) is 5-(4-amino-3-ethylpiperidin-1-yl)-4-bromo-2-propylpyridazin-3-one.
What is the SMILES notation for 5-(4-amino-3-ethylpiperidin-1-yl)-4-bromo-2-propylpyridazin-3-one?
The canonical SMILES for 5-(4-amino-3-ethylpiperidin-1-yl)-4-bromo-2-propylpyridazin-3-one is CCCn1ncc(N2CCC(N)C(CC)C2)c(Br)c1=O.
What is the InChIKey of 5-(4-amino-3-ethylpiperidin-1-yl)-4-bromo-2-propylpyridazin-3-one?
The InChIKey is ZQDJYGBSVXZDSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23BrN4O/c1-3-6-19-14(20)13(15)12(8-17-19)18-7-5-11(16)10(4-2)9-18/h8,10-11H,3-7,9,16H2,1-2H3.
What are the key properties of 5-(4-amino-3-ethylpiperidin-1-yl)-4-bromo-2-propylpyridazin-3-one?
5-(4-amino-3-ethylpiperidin-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-(4-amino-3-ethylpiperidin-1-yl)-4-bromo-2-propylpyridazin-3-one is sourced from PubChem (CID 114446601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).