6-(2-ethoxyphenyl)-3-oxo-2-propylpyridazine-4-carboximidamide

C16H20N4O2 — CID 82446796

IUPAC6-(2-ethoxyphenyl)-3-oxo-2-propylpyridazine-4-carboximidamide
SMILES[H]/N=C(\N)c1cc(-c2ccccc2OCC)nn(CCC)c1=O
InChIInChI=1S/C16H20N4O2/c1-3-9-20-16(21)12(15(17)18)10-13(19-20)11-7-5-6-8-14(11)22-4-2/h5-8,10H,3-4,9H2,1-2H3,(H3,17,18)
InChIKeyGOFOMJDXDPGPBH-UHFFFAOYSA-N
MW300.36 g/mol
LogP2.00
Rot. Bonds6

About 6-(2-ethoxyphenyl)-3-oxo-2-propylpyridazine-4-carboximidamide

6-(2-ethoxyphenyl)-3-oxo-2-propylpyridazine-4-carboximidamide (PubChem CID 82446796) has the molecular formula C16H20N4O2 and a molecular weight of 300.36 g/mol. Its IUPAC name is 6-(2-ethoxyphenyl)-3-oxo-2-propylpyridazine-4-carboximidamide.

Molecular Properties

Compound Name6-(2-ethoxyphenyl)-3-oxo-2-propylpyridazine-4-carboximidamide
PubChem CID82446796
Molecular FormulaC16H20N4O2
Molecular Weight300.36 g/mol
Exact Mass300.16
IUPAC Name6-(2-ethoxyphenyl)-3-oxo-2-propylpyridazine-4-carboximidamide
SMILES[H]/N=C(\N)c1cc(-c2ccccc2OCC)nn(CCC)c1=O
InChIInChI=1S/C16H20N4O2/c1-3-9-20-16(21)12(15(17)18)10-13(19-20)11-7-5-6-8-14(11)22-4-2/h5-8,10H,3-4,9H2,1-2H3,(H3,17,18)
InChIKeyGOFOMJDXDPGPBH-UHFFFAOYSA-N
XLogP2.00
TPSA93.99 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

2-(2-methoxyethyl)-6-(2-methoxyphenyl)-3-oxopyridazine-4-carboximidamide
CID 82447618
6-(2-ethoxyphenyl)-2-ethyl-3-oxopyridazine-4-carboxylic acid
CID 82444987
4-acetyl-6-(2-methoxyphenyl)-2-propylpyridazin-3-one
CID 82446787
ethyl 6-(2-chlorophenyl)-3-oxo-2-propylpyridazine-4-carboxylate
CID 100785399
6-(2-ethoxyphenyl)-2-ethyl-4-(2-hydroxypropan-2-yl)pyridazin-3-one
CID 82445000
3-(2-ethoxyphenyl)-1-ethylpyrazole-5-carboxylic acid
CID 84761108
2-[5-amino-3-(2-ethoxyphenyl)pyrazol-1-yl]ethanol
CID 43348917
2-[6-(2-ethoxyphenyl)-2-ethyl-3-oxopyridazin-4-yl]acetonitrile
CID 82444996
2-methyl-3-oxo-6-(2-propoxyphenyl)pyridazine-4-carbothioamide
CID 82444153
[3-(2-ethoxyphenyl)-1-ethylpyrazol-5-yl]methanamine
CID 84761609
4-amino-6-(2-ethoxyphenyl)-2-(2-methylpropyl)pyridazin-3-one
CID 82467618
3-oxo-2-propyl-6-pyridin-2-ylpyridazine-4-carbothioamide
CID 82446995

Frequently Asked Questions

What is the IUPAC name of 6-(2-ethoxyphenyl)-3-oxo-2-propylpyridazine-4-carboximidamide?
The IUPAC name of 6-(2-ethoxyphenyl)-3-oxo-2-propylpyridazine-4-carboximidamide (CID 82446796) is 6-(2-ethoxyphenyl)-3-oxo-2-propylpyridazine-4-carboximidamide.
What is the SMILES notation for 6-(2-ethoxyphenyl)-3-oxo-2-propylpyridazine-4-carboximidamide?
The canonical SMILES for 6-(2-ethoxyphenyl)-3-oxo-2-propylpyridazine-4-carboximidamide is [H]/N=C(\N)c1cc(-c2ccccc2OCC)nn(CCC)c1=O.
What is the InChIKey of 6-(2-ethoxyphenyl)-3-oxo-2-propylpyridazine-4-carboximidamide?
The InChIKey is GOFOMJDXDPGPBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O2/c1-3-9-20-16(21)12(15(17)18)10-13(19-20)11-7-5-6-8-14(11)22-4-2/h5-8,10H,3-4,9H2,1-2H3,(H3,17,18).
What are the key properties of 6-(2-ethoxyphenyl)-3-oxo-2-propylpyridazine-4-carboximidamide?
6-(2-ethoxyphenyl)-3-oxo-2-propylpyridazine-4-carboximidamide has a molecular weight of 300.36 g/mol, XLogP of 2.00, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-ethoxyphenyl)-3-oxo-2-propylpyridazine-4-carboximidamide is sourced from PubChem (CID 82446796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).