3-(2-morpholin-4-ylethylamino)-6-phenylpyridazine-4-carboxylic acid

C17H20N4O3 — CID 15678720

IUPAC3-(2-morpholin-4-ylethylamino)-6-phenylpyridazine-4-carboxylic acid
SMILESO=C(O)c1cc(-c2ccccc2)nnc1NCCN1CCOCC1
InChIInChI=1S/C17H20N4O3/c22-17(23)14-12-15(13-4-2-1-3-5-13)19-20-16(14)18-6-7-21-8-10-24-11-9-21/h1-5,12H,6-11H2,(H,18,20)(H,22,23)
InChIKeyJAEOCKSFMAVRDL-UHFFFAOYSA-N
MW328.37 g/mol
LogP1.59
Rot. Bonds6

About 3-(2-morpholin-4-ylethylamino)-6-phenylpyridazine-4-carboxylic acid

3-(2-morpholin-4-ylethylamino)-6-phenylpyridazine-4-carboxylic acid (PubChem CID 15678720) has the molecular formula C17H20N4O3 and a molecular weight of 328.37 g/mol. Its IUPAC name is 3-(2-morpholin-4-ylethylamino)-6-phenylpyridazine-4-carboxylic acid.

Molecular Properties

Compound Name3-(2-morpholin-4-ylethylamino)-6-phenylpyridazine-4-carboxylic acid
PubChem CID15678720
Molecular FormulaC17H20N4O3
Molecular Weight328.37 g/mol
Exact Mass328.15
IUPAC Name3-(2-morpholin-4-ylethylamino)-6-phenylpyridazine-4-carboxylic acid
SMILESO=C(O)c1cc(-c2ccccc2)nnc1NCCN1CCOCC1
InChIInChI=1S/C17H20N4O3/c22-17(23)14-12-15(13-4-2-1-3-5-13)19-20-16(14)18-6-7-21-8-10-24-11-9-21/h1-5,12H,6-11H2,(H,18,20)(H,22,23)
InChIKeyJAEOCKSFMAVRDL-UHFFFAOYSA-N
XLogP1.59
TPSA87.58 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.37
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-N-(2-morpholin-4-ylethyl)-6-phenylpyridazine-3,4-diamine;hydrochloride
CID 45262908
4-methyl-6-(4-methylphenyl)-N-(2-morpholin-4-ylethyl)pyridazin-3-amine;dihydrochloride
CID 6410830
N-(2-morpholin-4-ylethyl)-4-phenylphthalazin-1-amine
CID 6416457
N-(2-morpholin-4-ylethyl)-2,6-diphenylpyrimidin-4-amine
CID 59340658
4-methyl-N-(2-morpholin-4-ylethyl)-6-(4-nitrophenyl)pyridazin-3-amine;dihydrochloride
CID 6410843
4-methyl-6-phenyl-N-(2-piperazin-1-ylethyl)pyridazin-3-amine
CID 59867380
N-(2-morpholin-4-ylethyl)-4-(3-nitrophenyl)-6-phenylpyridazine-3-carboxamide
CID 11743587
4-morpholin-4-yl-N-(2-morpholin-4-ylethyl)-6-phenylpyrimidin-2-amine
CID 112935363
7-methoxy-2-(2-morpholin-4-ylethylamino)quinoline-3-carboxylic acid
CID 10246128
2-methyl-4-(2-morpholin-4-ylethylamino)benzoic acid
CID 81282507
5-methyl-N-(2-morpholin-4-ylethyl)-6-phenylpyridazin-3-amine
CID 13218688
N-(2-morpholin-4-ylethyl)-2-oxo-4-phenyl-1H-pyrimidine-6-carboxamide
CID 110332072

Frequently Asked Questions

What is the IUPAC name of 3-(2-morpholin-4-ylethylamino)-6-phenylpyridazine-4-carboxylic acid?
The IUPAC name of 3-(2-morpholin-4-ylethylamino)-6-phenylpyridazine-4-carboxylic acid (CID 15678720) is 3-(2-morpholin-4-ylethylamino)-6-phenylpyridazine-4-carboxylic acid.
What is the SMILES notation for 3-(2-morpholin-4-ylethylamino)-6-phenylpyridazine-4-carboxylic acid?
The canonical SMILES for 3-(2-morpholin-4-ylethylamino)-6-phenylpyridazine-4-carboxylic acid is O=C(O)c1cc(-c2ccccc2)nnc1NCCN1CCOCC1.
What is the InChIKey of 3-(2-morpholin-4-ylethylamino)-6-phenylpyridazine-4-carboxylic acid?
The InChIKey is JAEOCKSFMAVRDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O3/c22-17(23)14-12-15(13-4-2-1-3-5-13)19-20-16(14)18-6-7-21-8-10-24-11-9-21/h1-5,12H,6-11H2,(H,18,20)(H,22,23).
What are the key properties of 3-(2-morpholin-4-ylethylamino)-6-phenylpyridazine-4-carboxylic acid?
3-(2-morpholin-4-ylethylamino)-6-phenylpyridazine-4-carboxylic acid has a molecular weight of 328.37 g/mol, XLogP of 1.59, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-morpholin-4-ylethylamino)-6-phenylpyridazine-4-carboxylic acid is sourced from PubChem (CID 15678720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).