4-amino-6-(4-ethylphenyl)-2-(2-methylpropyl)pyridazin-3-one

C16H21N3O — CID 82467609

IUPAC4-amino-6-(4-ethylphenyl)-2-(2-methylpropyl)pyridazin-3-one
SMILESCCc1ccc(-c2cc(N)c(=O)n(CC(C)C)n2)cc1
InChIInChI=1S/C16H21N3O/c1-4-12-5-7-13(8-6-12)15-9-14(17)16(20)19(18-15)10-11(2)3/h5-9,11H,4,10,17H2,1-3H3
InChIKeyMPKHKSQBMYXZST-UHFFFAOYSA-N
MW271.36 g/mol
LogP2.71
Rot. Bonds4

About 4-amino-6-(4-ethylphenyl)-2-(2-methylpropyl)pyridazin-3-one

4-amino-6-(4-ethylphenyl)-2-(2-methylpropyl)pyridazin-3-one (PubChem CID 82467609) has the molecular formula C16H21N3O and a molecular weight of 271.36 g/mol. Its IUPAC name is 4-amino-6-(4-ethylphenyl)-2-(2-methylpropyl)pyridazin-3-one.

Molecular Properties

Compound Name4-amino-6-(4-ethylphenyl)-2-(2-methylpropyl)pyridazin-3-one
PubChem CID82467609
Molecular FormulaC16H21N3O
Molecular Weight271.36 g/mol
Exact Mass271.17
IUPAC Name4-amino-6-(4-ethylphenyl)-2-(2-methylpropyl)pyridazin-3-one
SMILESCCc1ccc(-c2cc(N)c(=O)n(CC(C)C)n2)cc1
InChIInChI=1S/C16H21N3O/c1-4-12-5-7-13(8-6-12)15-9-14(17)16(20)19(18-15)10-11(2)3/h5-9,11H,4,10,17H2,1-3H3
InChIKeyMPKHKSQBMYXZST-UHFFFAOYSA-N
XLogP2.71
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-butyl-2-[3-(4-methylphenyl)-6-oxopyridazin-1(6H)-yl]acetamide
CID 5099386
2-(6-oxo-3-(p-tolyl)pyridazin-1(6H)-yl)-N-phenethylacetamide
CID 5070704
N-[2-(diethylamino)ethyl]-2-[3-(4-methylphenyl)-6-oxopyridazin-1(6H)-yl]acetamide
CID 3236319
N-allyl-2-(6-oxo-3-phenylpyridazin-1(6H)-yl)acetamide
CID 3236540
N-(2-methylcyclohexyl)-2-(6-oxo-3-phenylpyridazin-1(6H)-yl)acetamide
CID 3238833
2-[3-(4-methylphenyl)-6-oxopyridazin-1(6H)-yl]-N-(3-piperidin-1-ylpropyl)acetamide
CID 3241030
N-(3-methoxypropyl)-2-[3-(4-methylphenyl)-6-oxopyridazin-1(6H)-yl]acetamide
CID 3243756
2-[3-(4-methylphenyl)-6-oxopyridazin-1(6H)-yl]-N-[3-(4-propylpiperazin-1-yl)propyl]acetamide
CID 3245998
N-{2-[butyl(methyl)amino]ethyl}-3-[3-(4-methylphenyl)-6-oxopyridazin-1(6H)-yl]propanamide
CID 4177567
6-(4-isopropylstyryl)-2-methyl-3(2H)-pyridazinone
CID 5707556
N-(2-Methoxy-ethyl)-2-(6-oxo-3-p-tolyl-6H-pyridazin-1-yl)-acetamide
CID 3154555
N-(3-methylbutyl)-2-[3-(4-methylphenyl)-6-oxopyridazin-1(6H)-yl]acetamide
CID 5068263

Frequently Asked Questions

What is the IUPAC name of 4-amino-6-(4-ethylphenyl)-2-(2-methylpropyl)pyridazin-3-one?
The IUPAC name of 4-amino-6-(4-ethylphenyl)-2-(2-methylpropyl)pyridazin-3-one (CID 82467609) is 4-amino-6-(4-ethylphenyl)-2-(2-methylpropyl)pyridazin-3-one.
What is the SMILES notation for 4-amino-6-(4-ethylphenyl)-2-(2-methylpropyl)pyridazin-3-one?
The canonical SMILES for 4-amino-6-(4-ethylphenyl)-2-(2-methylpropyl)pyridazin-3-one is CCc1ccc(-c2cc(N)c(=O)n(CC(C)C)n2)cc1.
What is the InChIKey of 4-amino-6-(4-ethylphenyl)-2-(2-methylpropyl)pyridazin-3-one?
The InChIKey is MPKHKSQBMYXZST-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O/c1-4-12-5-7-13(8-6-12)15-9-14(17)16(20)19(18-15)10-11(2)3/h5-9,11H,4,10,17H2,1-3H3.
What are the key properties of 4-amino-6-(4-ethylphenyl)-2-(2-methylpropyl)pyridazin-3-one?
4-amino-6-(4-ethylphenyl)-2-(2-methylpropyl)pyridazin-3-one has a molecular weight of 271.36 g/mol, XLogP of 2.71, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-6-(4-ethylphenyl)-2-(2-methylpropyl)pyridazin-3-one is sourced from PubChem (CID 82467609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).