6-[4-(1-morpholin-4-ylethyl)phenyl]pyridazine-3-carboxylic acid

C17H19N3O3 — CID 122563480

IUPAC6-[4-(1-morpholin-4-ylethyl)phenyl]pyridazine-3-carboxylic acid
SMILESCC(c1ccc(-c2ccc(C(=O)O)nn2)cc1)N1CCOCC1
InChIInChI=1S/C17H19N3O3/c1-12(20-8-10-23-11-9-20)13-2-4-14(5-3-13)15-6-7-16(17(21)22)19-18-15/h2-7,12H,8-11H2,1H3,(H,21,22)
InChIKeyPMNZIKBHUNXEQM-UHFFFAOYSA-N
MW313.36 g/mol
LogP2.23
Rot. Bonds4

About 6-[4-(1-morpholin-4-ylethyl)phenyl]pyridazine-3-carboxylic acid

6-[4-(1-morpholin-4-ylethyl)phenyl]pyridazine-3-carboxylic acid (PubChem CID 122563480) has the molecular formula C17H19N3O3 and a molecular weight of 313.36 g/mol. Its IUPAC name is 6-[4-(1-morpholin-4-ylethyl)phenyl]pyridazine-3-carboxylic acid.

Molecular Properties

Compound Name6-[4-(1-morpholin-4-ylethyl)phenyl]pyridazine-3-carboxylic acid
PubChem CID122563480
Molecular FormulaC17H19N3O3
Molecular Weight313.36 g/mol
Exact Mass313.14
IUPAC Name6-[4-(1-morpholin-4-ylethyl)phenyl]pyridazine-3-carboxylic acid
SMILESCC(c1ccc(-c2ccc(C(=O)O)nn2)cc1)N1CCOCC1
InChIInChI=1S/C17H19N3O3/c1-12(20-8-10-23-11-9-20)13-2-4-14(5-3-13)15-6-7-16(17(21)22)19-18-15/h2-7,12H,8-11H2,1H3,(H,21,22)
InChIKeyPMNZIKBHUNXEQM-UHFFFAOYSA-N
XLogP2.23
TPSA75.55 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.36
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-[4-(1-pyrrolidin-1-ylethyl)phenyl]pyridazine-3-carboxylic acid
CID 122559884
5-[4-(1-piperidin-1-ylethyl)phenyl]pyrazine-2-carboxylic acid
CID 77093885
4-[(1R)-1-[4-(6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl)phenyl]ethyl]morpholine
CID 126445943
N-[5-[4-(1-morpholin-4-ylethyl)phenyl]-2-pyridinyl]acetamide
CID 50976257
7,16-bis[(1R)-1-phenylethyl]-1,4,10,13-tetraoxa-7,16-diazacyclooctadecane
CID 12990897
4-(1-phenylethyl)morpholine;hydrochloride
CID 3057369
4-[(1R)-1-[4-(2,6-dimethyl-4-pyridinyl)phenyl]ethyl]morpholine
CID 125442567
4-[(1S)-1-[4-(4-methylsulfonylphenyl)phenyl]ethyl]morpholine
CID 126430266
2-[2-chloro-4-[4-(1-morpholin-4-ylethyl)phenyl]phenoxy]acetic acid
CID 122558845
4-[(1R)-1-[4-(6-methylpyrazino[2,3-b]pyrazin-2-yl)phenyl]ethyl]morpholine
CID 126441384
4-(1-morpholin-4-ylethyl)aniline
CID 50987527
1-methyl-2-[4-[(1S)-1-morpholin-4-ylethyl]phenyl]benzimidazole-5-carboxylic acid
CID 125446663

Frequently Asked Questions

What is the IUPAC name of 6-[4-(1-morpholin-4-ylethyl)phenyl]pyridazine-3-carboxylic acid?
The IUPAC name of 6-[4-(1-morpholin-4-ylethyl)phenyl]pyridazine-3-carboxylic acid (CID 122563480) is 6-[4-(1-morpholin-4-ylethyl)phenyl]pyridazine-3-carboxylic acid.
What is the SMILES notation for 6-[4-(1-morpholin-4-ylethyl)phenyl]pyridazine-3-carboxylic acid?
The canonical SMILES for 6-[4-(1-morpholin-4-ylethyl)phenyl]pyridazine-3-carboxylic acid is CC(c1ccc(-c2ccc(C(=O)O)nn2)cc1)N1CCOCC1.
What is the InChIKey of 6-[4-(1-morpholin-4-ylethyl)phenyl]pyridazine-3-carboxylic acid?
The InChIKey is PMNZIKBHUNXEQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O3/c1-12(20-8-10-23-11-9-20)13-2-4-14(5-3-13)15-6-7-16(17(21)22)19-18-15/h2-7,12H,8-11H2,1H3,(H,21,22).
What are the key properties of 6-[4-(1-morpholin-4-ylethyl)phenyl]pyridazine-3-carboxylic acid?
6-[4-(1-morpholin-4-ylethyl)phenyl]pyridazine-3-carboxylic acid has a molecular weight of 313.36 g/mol, XLogP of 2.23, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(1-morpholin-4-ylethyl)phenyl]pyridazine-3-carboxylic acid is sourced from PubChem (CID 122563480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).