6-[amino-(4-ethoxyphenyl)methyl]-2-(2-methylpropyl)pyridazin-3-one

C17H23N3O2 — CID 82442351

IUPAC6-[amino-(4-ethoxyphenyl)methyl]-2-(2-methylpropyl)pyridazin-3-one
SMILESCCOc1ccc(C(N)c2ccc(=O)n(CC(C)C)n2)cc1
InChIInChI=1S/C17H23N3O2/c1-4-22-14-7-5-13(6-8-14)17(18)15-9-10-16(21)20(19-15)11-12(2)3/h5-10,12,17H,4,11,18H2,1-3H3
InChIKeyJGIQROBSZJBRSW-UHFFFAOYSA-N
MW301.39 g/mol
LogP2.35
Rot. Bonds6

About 6-[amino-(4-ethoxyphenyl)methyl]-2-(2-methylpropyl)pyridazin-3-one

6-[amino-(4-ethoxyphenyl)methyl]-2-(2-methylpropyl)pyridazin-3-one (PubChem CID 82442351) has the molecular formula C17H23N3O2 and a molecular weight of 301.39 g/mol. Its IUPAC name is 6-[amino-(4-ethoxyphenyl)methyl]-2-(2-methylpropyl)pyridazin-3-one.

Molecular Properties

Compound Name6-[amino-(4-ethoxyphenyl)methyl]-2-(2-methylpropyl)pyridazin-3-one
PubChem CID82442351
Molecular FormulaC17H23N3O2
Molecular Weight301.39 g/mol
Exact Mass301.18
IUPAC Name6-[amino-(4-ethoxyphenyl)methyl]-2-(2-methylpropyl)pyridazin-3-one
SMILESCCOc1ccc(C(N)c2ccc(=O)n(CC(C)C)n2)cc1
InChIInChI=1S/C17H23N3O2/c1-4-22-14-7-5-13(6-8-14)17(18)15-9-10-16(21)20(19-15)11-12(2)3/h5-10,12,17H,4,11,18H2,1-3H3
InChIKeyJGIQROBSZJBRSW-UHFFFAOYSA-N
XLogP2.35
TPSA70.14 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-[amino-(4-ethoxyphenyl)methyl]-2-methylpyridazin-3-one
CID 82442111
6-[amino-(4-chlorophenyl)methyl]-2-(2-methylpropyl)pyridazin-3-one
CID 82442349
6-[amino-(3,4-dimethylphenyl)methyl]-2-(2-methylpropyl)pyridazin-3-one
CID 82442346
(4-ethoxyphenyl)-(5-fluoro-2-pyridinyl)methanamine
CID 79722742
ethyl 6-(4-ethoxyphenyl)-2-(2-methylpropyl)-3-oxopyridazine-4-carboxylate
CID 100785448
4-[amino-(4-ethoxyphenyl)methyl]-6-methyl-2-propylpyridazin-3-one
CID 82442816
6-[amino-(4-propan-2-ylphenyl)methyl]-2-methylpyridazin-3-one
CID 82442102
2-(4-ethoxyphenyl)pentan-3-amine
CID 79308575
N-[(1S)-1-(4-ethoxyphenyl)ethyl]-6-oxo-1-propylpyridazine-3-carboxamide
CID 33302113
(4-ethoxyphenyl)-(1-methylpyrazol-4-yl)methanamine
CID 43124250
1-(1-chloro-4-methylpentan-2-yl)-4-ethoxybenzene
CID 112508540
(4-ethoxyphenyl)-(2,4,5-trifluorophenyl)methanamine
CID 103301574

Frequently Asked Questions

What is the IUPAC name of 6-[amino-(4-ethoxyphenyl)methyl]-2-(2-methylpropyl)pyridazin-3-one?
The IUPAC name of 6-[amino-(4-ethoxyphenyl)methyl]-2-(2-methylpropyl)pyridazin-3-one (CID 82442351) is 6-[amino-(4-ethoxyphenyl)methyl]-2-(2-methylpropyl)pyridazin-3-one.
What is the SMILES notation for 6-[amino-(4-ethoxyphenyl)methyl]-2-(2-methylpropyl)pyridazin-3-one?
The canonical SMILES for 6-[amino-(4-ethoxyphenyl)methyl]-2-(2-methylpropyl)pyridazin-3-one is CCOc1ccc(C(N)c2ccc(=O)n(CC(C)C)n2)cc1.
What is the InChIKey of 6-[amino-(4-ethoxyphenyl)methyl]-2-(2-methylpropyl)pyridazin-3-one?
The InChIKey is JGIQROBSZJBRSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O2/c1-4-22-14-7-5-13(6-8-14)17(18)15-9-10-16(21)20(19-15)11-12(2)3/h5-10,12,17H,4,11,18H2,1-3H3.
What are the key properties of 6-[amino-(4-ethoxyphenyl)methyl]-2-(2-methylpropyl)pyridazin-3-one?
6-[amino-(4-ethoxyphenyl)methyl]-2-(2-methylpropyl)pyridazin-3-one has a molecular weight of 301.39 g/mol, XLogP of 2.35, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[amino-(4-ethoxyphenyl)methyl]-2-(2-methylpropyl)pyridazin-3-one is sourced from PubChem (CID 82442351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).