5-(ethylaminomethyl)-3-(2-propoxyphenyl)-1H-pyridazin-6-one

C16H21N3O2 — CID 82445862

IUPAC5-(ethylaminomethyl)-3-(2-propoxyphenyl)-1H-pyridazin-6-one
SMILESCCCOc1ccccc1-c1cc(CNCC)c(=O)[nH]n1
InChIInChI=1S/C16H21N3O2/c1-3-9-21-15-8-6-5-7-13(15)14-10-12(11-17-4-2)16(20)19-18-14/h5-8,10,17H,3-4,9,11H2,1-2H3,(H,19,20)
InChIKeyIRSVJWAHFVZIQU-UHFFFAOYSA-N
MW287.36 g/mol
LogP2.34
Rot. Bonds7

About 5-(ethylaminomethyl)-3-(2-propoxyphenyl)-1H-pyridazin-6-one

5-(ethylaminomethyl)-3-(2-propoxyphenyl)-1H-pyridazin-6-one (PubChem CID 82445862) has the molecular formula C16H21N3O2 and a molecular weight of 287.36 g/mol. Its IUPAC name is 5-(ethylaminomethyl)-3-(2-propoxyphenyl)-1H-pyridazin-6-one.

Molecular Properties

Compound Name5-(ethylaminomethyl)-3-(2-propoxyphenyl)-1H-pyridazin-6-one
PubChem CID82445862
Molecular FormulaC16H21N3O2
Molecular Weight287.36 g/mol
Exact Mass287.16
IUPAC Name5-(ethylaminomethyl)-3-(2-propoxyphenyl)-1H-pyridazin-6-one
SMILESCCCOc1ccccc1-c1cc(CNCC)c(=O)[nH]n1
InChIInChI=1S/C16H21N3O2/c1-3-9-21-15-8-6-5-7-13(15)14-10-12(11-17-4-2)16(20)19-18-14/h5-8,10,17H,3-4,9,11H2,1-2H3,(H,19,20)
InChIKeyIRSVJWAHFVZIQU-UHFFFAOYSA-N
XLogP2.34
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[3-(2-hexoxyphenyl)-1H-pyrazol-5-yl]methyl]ethanamine
CID 54847214
5-(ethylaminomethyl)-3-pyridin-2-yl-1H-pyridazin-6-one
CID 82446530
2-[3-(2-propoxyphenyl)-1H-pyrazol-5-yl]aniline
CID 54852189
N-[[3-(2-phenylmethoxyphenyl)-1H-pyrazol-5-yl]methyl]ethanamine
CID 54847351
3-(2-ethoxyphenyl)-6-oxo-1H-pyridazine-5-carboxylic acid
CID 82445826
N-methyl-1-[3-(2-pentoxyphenyl)-1H-pyrazol-5-yl]methanamine
CID 54847408
3-(2-butoxyphenyl)-N-hydroxy-1H-pyrazole-5-carboxamide
CID 71601259
3-(3,4-dimethoxyphenyl)-5-(ethylaminomethyl)-1H-pyridazin-6-one
CID 82446251
3-phenyl-5-(propylaminomethyl)-1H-pyridazin-6-one
CID 82445383
N-[(Z)-[(E)-2-methyl-3-phenylprop-2-enylidene]amino]-3-(2-propoxyphenyl)-1H-pyrazole-5-carboxamide
CID 6267995
5-(ethylaminomethyl)-3-(4-propan-2-ylphenyl)-1H-pyridazin-6-one
CID 82445513
5-[(2-methoxyethylamino)methyl]-3-phenyl-1H-pyridazin-6-one
CID 82445389

Frequently Asked Questions

What is the IUPAC name of 5-(ethylaminomethyl)-3-(2-propoxyphenyl)-1H-pyridazin-6-one?
The IUPAC name of 5-(ethylaminomethyl)-3-(2-propoxyphenyl)-1H-pyridazin-6-one (CID 82445862) is 5-(ethylaminomethyl)-3-(2-propoxyphenyl)-1H-pyridazin-6-one.
What is the SMILES notation for 5-(ethylaminomethyl)-3-(2-propoxyphenyl)-1H-pyridazin-6-one?
The canonical SMILES for 5-(ethylaminomethyl)-3-(2-propoxyphenyl)-1H-pyridazin-6-one is CCCOc1ccccc1-c1cc(CNCC)c(=O)[nH]n1.
What is the InChIKey of 5-(ethylaminomethyl)-3-(2-propoxyphenyl)-1H-pyridazin-6-one?
The InChIKey is IRSVJWAHFVZIQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2/c1-3-9-21-15-8-6-5-7-13(15)14-10-12(11-17-4-2)16(20)19-18-14/h5-8,10,17H,3-4,9,11H2,1-2H3,(H,19,20).
What are the key properties of 5-(ethylaminomethyl)-3-(2-propoxyphenyl)-1H-pyridazin-6-one?
5-(ethylaminomethyl)-3-(2-propoxyphenyl)-1H-pyridazin-6-one has a molecular weight of 287.36 g/mol, XLogP of 2.34, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(ethylaminomethyl)-3-(2-propoxyphenyl)-1H-pyridazin-6-one is sourced from PubChem (CID 82445862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).