2-(2-aminoethyl)-4-chloro-6-propan-2-ylpyridazin-3-one

C9H14ClN3O — CID 84681458

IUPAC2-(2-aminoethyl)-4-chloro-6-propan-2-ylpyridazin-3-one
SMILESCC(C)c1cc(Cl)c(=O)n(CCN)n1
InChIInChI=1S/C9H14ClN3O/c1-6(2)8-5-7(10)9(14)13(12-8)4-3-11/h5-6H,3-4,11H2,1-2H3
InChIKeyMCJDADITFGAGOR-UHFFFAOYSA-N
MW215.68 g/mol
LogP0.98
Rot. Bonds3

About 2-(2-aminoethyl)-4-chloro-6-propan-2-ylpyridazin-3-one

2-(2-aminoethyl)-4-chloro-6-propan-2-ylpyridazin-3-one (PubChem CID 84681458) has the molecular formula C9H14ClN3O and a molecular weight of 215.68 g/mol. Its IUPAC name is 2-(2-aminoethyl)-4-chloro-6-propan-2-ylpyridazin-3-one.

Molecular Properties

Compound Name2-(2-aminoethyl)-4-chloro-6-propan-2-ylpyridazin-3-one
PubChem CID84681458
Molecular FormulaC9H14ClN3O
Molecular Weight215.68 g/mol
Exact Mass215.08
IUPAC Name2-(2-aminoethyl)-4-chloro-6-propan-2-ylpyridazin-3-one
SMILESCC(C)c1cc(Cl)c(=O)n(CCN)n1
InChIInChI=1S/C9H14ClN3O/c1-6(2)8-5-7(10)9(14)13(12-8)4-3-11/h5-6H,3-4,11H2,1-2H3
InChIKeyMCJDADITFGAGOR-UHFFFAOYSA-N
XLogP0.98
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.68
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-Chloro-6-oxo-3-propan-2-ylpyridazin-1-yl)acetamide
CID 175959874
2-(2-Aminoethyl)-6-ethylpyridazin-3-one
CID 84652763
2-(2-aminoethyl)-6-cyclopropylpyridazin-3(2H)-one
CID 84657004
2-(2-Aminoethyl)-4-chloro-6-methylpyridazin-3-one
CID 84661189
2-(2-Aminoethyl)-4-chloro-6-ethylpyridazin-3-one
CID 84670363
2-(2-Aminoethyl)-4-chloro-6-cyclopropylpyridazin-3-one
CID 84679996
2-(2-aminoethyl)-6-(tert-butyl)pyridazin-3(2H)-one
CID 92130871
N-[2-(3-cyclopropyl-6-oxo-1,6-dihydropyridazin-1-yl)ethyl]acetamide
CID 122277955
2-chloro-N-[(2S)-1-(3-cyclopropyl-6-oxopyridazin-1-yl)-3-methylbutan-2-yl]acetamide
CID 175657445
2-chloro-N-[(2R)-1-(3-cyclopropyl-6-oxopyridazin-1-yl)-3-methylbutan-2-yl]acetamide
CID 177674789

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminoethyl)-4-chloro-6-propan-2-ylpyridazin-3-one?
The IUPAC name of 2-(2-aminoethyl)-4-chloro-6-propan-2-ylpyridazin-3-one (CID 84681458) is 2-(2-aminoethyl)-4-chloro-6-propan-2-ylpyridazin-3-one.
What is the SMILES notation for 2-(2-aminoethyl)-4-chloro-6-propan-2-ylpyridazin-3-one?
The canonical SMILES for 2-(2-aminoethyl)-4-chloro-6-propan-2-ylpyridazin-3-one is CC(C)c1cc(Cl)c(=O)n(CCN)n1.
What is the InChIKey of 2-(2-aminoethyl)-4-chloro-6-propan-2-ylpyridazin-3-one?
The InChIKey is MCJDADITFGAGOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14ClN3O/c1-6(2)8-5-7(10)9(14)13(12-8)4-3-11/h5-6H,3-4,11H2,1-2H3.
What are the key properties of 2-(2-aminoethyl)-4-chloro-6-propan-2-ylpyridazin-3-one?
2-(2-aminoethyl)-4-chloro-6-propan-2-ylpyridazin-3-one has a molecular weight of 215.68 g/mol, XLogP of 0.98, 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-chloro-6-propan-2-ylpyridazin-3-one is sourced from PubChem (CID 84681458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).