4-amino-6-(3-butoxyphenyl)-2-ethylpyridazin-3-one

C16H21N3O2 — CID 82467495

IUPAC4-amino-6-(3-butoxyphenyl)-2-ethylpyridazin-3-one
SMILESCCCCOc1cccc(-c2cc(N)c(=O)n(CC)n2)c1
InChIInChI=1S/C16H21N3O2/c1-3-5-9-21-13-8-6-7-12(10-13)15-11-14(17)16(20)19(4-2)18-15/h6-8,10-11H,3-5,9,17H2,1-2H3
InChIKeyGTXANRWLGFZELT-UHFFFAOYSA-N
MW287.36 g/mol
LogP2.69
Rot. Bonds6

About 4-amino-6-(3-butoxyphenyl)-2-ethylpyridazin-3-one

4-amino-6-(3-butoxyphenyl)-2-ethylpyridazin-3-one (PubChem CID 82467495) has the molecular formula C16H21N3O2 and a molecular weight of 287.36 g/mol. Its IUPAC name is 4-amino-6-(3-butoxyphenyl)-2-ethylpyridazin-3-one.

Molecular Properties

Compound Name4-amino-6-(3-butoxyphenyl)-2-ethylpyridazin-3-one
PubChem CID82467495
Molecular FormulaC16H21N3O2
Molecular Weight287.36 g/mol
Exact Mass287.16
IUPAC Name4-amino-6-(3-butoxyphenyl)-2-ethylpyridazin-3-one
SMILESCCCCOc1cccc(-c2cc(N)c(=O)n(CC)n2)c1
InChIInChI=1S/C16H21N3O2/c1-3-5-9-21-13-8-6-7-12(10-13)15-11-14(17)16(20)19(4-2)18-15/h6-8,10-11H,3-5,9,17H2,1-2H3
InChIKeyGTXANRWLGFZELT-UHFFFAOYSA-N
XLogP2.69
TPSA70.14 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

6-(3-ethoxyphenyl)-2-ethyl-4-(2-hydroxypropan-2-yl)pyridazin-3-one
CID 82445060
4-amino-6-(4-ethoxyphenyl)-2-propylpyridazin-3-one
CID 82467559
4-(chloromethyl)-2-methyl-6-(3-propoxyphenyl)pyridazin-3-one
CID 82444242
2-methyl-3-oxo-6-(3-propoxyphenyl)pyridazine-4-carbaldehyde
CID 82444237
4-(chloromethyl)-2-ethyl-6-(4-propoxyphenyl)pyridazin-3-one
CID 82445160
2-methyl-6-(3-propoxyphenyl)pyridin-3-amine
CID 82467694
2-ethyl-3-oxo-6-(3-propan-2-yloxyphenyl)pyridazine-4-carboximidamide
CID 82445083
5-(3-butoxyphenyl)-1,3,4-oxadiazol-2-amine
CID 91675556
4,5-diamino-2-(3-hexoxyphenyl)-1H-pyrimidin-6-one
CID 152771806
6-(3-butoxyphenyl)-3-phenyl-[1,2,4]triazolo[4,3-b]pyridazine
CID 69187154
1-ethyl-3-(3-fluorophenyl)pyrazol-5-amine
CID 61265903
4-(aminomethyl)-2-ethyl-6-phenylpyridazin-3-one
CID 82444722

Frequently Asked Questions

What is the IUPAC name of 4-amino-6-(3-butoxyphenyl)-2-ethylpyridazin-3-one?
The IUPAC name of 4-amino-6-(3-butoxyphenyl)-2-ethylpyridazin-3-one (CID 82467495) is 4-amino-6-(3-butoxyphenyl)-2-ethylpyridazin-3-one.
What is the SMILES notation for 4-amino-6-(3-butoxyphenyl)-2-ethylpyridazin-3-one?
The canonical SMILES for 4-amino-6-(3-butoxyphenyl)-2-ethylpyridazin-3-one is CCCCOc1cccc(-c2cc(N)c(=O)n(CC)n2)c1.
What is the InChIKey of 4-amino-6-(3-butoxyphenyl)-2-ethylpyridazin-3-one?
The InChIKey is GTXANRWLGFZELT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2/c1-3-5-9-21-13-8-6-7-12(10-13)15-11-14(17)16(20)19(4-2)18-15/h6-8,10-11H,3-5,9,17H2,1-2H3.
What are the key properties of 4-amino-6-(3-butoxyphenyl)-2-ethylpyridazin-3-one?
4-amino-6-(3-butoxyphenyl)-2-ethylpyridazin-3-one has a molecular weight of 287.36 g/mol, XLogP of 2.69, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-6-(3-butoxyphenyl)-2-ethylpyridazin-3-one is sourced from PubChem (CID 82467495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).