2-(2-aminoethyl)-4-bromo-6-ethylpyridazin-3-one

C8H12BrN3O — CID 84705568

IUPAC2-(2-aminoethyl)-4-bromo-6-ethylpyridazin-3-one
SMILESCCc1cc(Br)c(=O)n(CCN)n1
InChIInChI=1S/C8H12BrN3O/c1-2-6-5-7(9)8(13)12(11-6)4-3-10/h5H,2-4,10H2,1H3
InChIKeyBBTICTJBOUKQML-UHFFFAOYSA-N
MW246.11 g/mol
LogP0.53
Rot. Bonds3

About 2-(2-aminoethyl)-4-bromo-6-ethylpyridazin-3-one

2-(2-aminoethyl)-4-bromo-6-ethylpyridazin-3-one (PubChem CID 84705568) has the molecular formula C8H12BrN3O and a molecular weight of 246.11 g/mol. Its IUPAC name is 2-(2-aminoethyl)-4-bromo-6-ethylpyridazin-3-one.

Molecular Properties

Compound Name2-(2-aminoethyl)-4-bromo-6-ethylpyridazin-3-one
PubChem CID84705568
Molecular FormulaC8H12BrN3O
Molecular Weight246.11 g/mol
Exact Mass245.02
IUPAC Name2-(2-aminoethyl)-4-bromo-6-ethylpyridazin-3-one
SMILESCCc1cc(Br)c(=O)n(CCN)n1
InChIInChI=1S/C8H12BrN3O/c1-2-6-5-7(9)8(13)12(11-6)4-3-10/h5H,2-4,10H2,1H3
InChIKeyBBTICTJBOUKQML-UHFFFAOYSA-N
XLogP0.53
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.11
LogP ≤ 50.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-aminoethyl)-4-methylphthalazin-1-one
CID 121199498
2-(5-methoxy-3-propylpyrazol-1-yl)ethanamine
CID 84718799
2-(4-bromo-5-ethyl-3-methylpyrazol-1-yl)ethanamine
CID 83645056
5-bromo-3-ethyl-1H-pyridazin-6-one
CID 117106895
2-(5-bromo-3-methyl-6-oxopyridazin-1-yl)acetic acid
CID 84705944
1-(2-aminoethyl)-3-bromopyrazole-5-carboxylic acid
CID 170730436
2-(3-ethyl-5-methylpyrazol-1-yl)acetic acid
CID 83635686
4-amino-1-(1,3-diethylpyrazol-5-yl)butan-2-one
CID 116550797
N-(2-aminoethyl)-3-ethyl-1-methylpyrazole-5-carboxamide
CID 66120701
3,5-diethyl-1-propylpyrazole
CID 82699697
3-ethyl-1-pentan-3-ylpyrazole-5-sulfonamide
CID 62410448
2-(2-aminoethyl)-4-chlorophthalazin-1-one
CID 82391903

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminoethyl)-4-bromo-6-ethylpyridazin-3-one?
The IUPAC name of 2-(2-aminoethyl)-4-bromo-6-ethylpyridazin-3-one (CID 84705568) is 2-(2-aminoethyl)-4-bromo-6-ethylpyridazin-3-one.
What is the SMILES notation for 2-(2-aminoethyl)-4-bromo-6-ethylpyridazin-3-one?
The canonical SMILES for 2-(2-aminoethyl)-4-bromo-6-ethylpyridazin-3-one is CCc1cc(Br)c(=O)n(CCN)n1.
What is the InChIKey of 2-(2-aminoethyl)-4-bromo-6-ethylpyridazin-3-one?
The InChIKey is BBTICTJBOUKQML-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12BrN3O/c1-2-6-5-7(9)8(13)12(11-6)4-3-10/h5H,2-4,10H2,1H3.
What are the key properties of 2-(2-aminoethyl)-4-bromo-6-ethylpyridazin-3-one?
2-(2-aminoethyl)-4-bromo-6-ethylpyridazin-3-one has a molecular weight of 246.11 g/mol, XLogP of 0.53, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminoethyl)-4-bromo-6-ethylpyridazin-3-one is sourced from PubChem (CID 84705568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).