6-(2-methylphenyl)-N-(4-morpholin-4-ylphenyl)pyridazin-3-amine

C21H22N4O — CID 646977

IUPAC6-(2-methylphenyl)-N-(4-morpholin-4-ylphenyl)pyridazin-3-amine
SMILESCc1ccccc1-c1ccc(Nc2ccc(N3CCOCC3)cc2)nn1
InChIInChI=1S/C21H22N4O/c1-16-4-2-3-5-19(16)20-10-11-21(24-23-20)22-17-6-8-18(9-7-17)25-12-14-26-15-13-25/h2-11H,12-15H2,1H3,(H,22,24)
InChIKeyHIQWIQQAWFLYDG-UHFFFAOYSA-N
MW346.43 g/mol
LogP4.03
Rot. Bonds4

About 6-(2-methylphenyl)-N-(4-morpholin-4-ylphenyl)pyridazin-3-amine

6-(2-methylphenyl)-N-(4-morpholin-4-ylphenyl)pyridazin-3-amine (PubChem CID 646977) has the molecular formula C21H22N4O and a molecular weight of 346.43 g/mol. Its IUPAC name is 6-(2-methylphenyl)-N-(4-morpholin-4-ylphenyl)pyridazin-3-amine.

Molecular Properties

Compound Name6-(2-methylphenyl)-N-(4-morpholin-4-ylphenyl)pyridazin-3-amine
PubChem CID646977
Molecular FormulaC21H22N4O
Molecular Weight346.43 g/mol
Exact Mass346.18
IUPAC Name6-(2-methylphenyl)-N-(4-morpholin-4-ylphenyl)pyridazin-3-amine
SMILESCc1ccccc1-c1ccc(Nc2ccc(N3CCOCC3)cc2)nn1
InChIInChI=1S/C21H22N4O/c1-16-4-2-3-5-19(16)20-10-11-21(24-23-20)22-17-6-8-18(9-7-17)25-12-14-26-15-13-25/h2-11H,12-15H2,1H3,(H,22,24)
InChIKeyHIQWIQQAWFLYDG-UHFFFAOYSA-N
XLogP4.03
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.43
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

Minaprine
CID 4199
Minaprine Hydrochloride
CID 33254
SR 95191
CID 72119
4-Morpholineethanamine, N-(4,6-diphenyl-3-pyridazinyl)-
CID 6410811
N-[2-(4-morpholinyl)ethyl]-6,7-dihydro-5H-benzo[2,3]cyclohepta[2,4-d]pyridazin-3-amine
CID 195165
4-Morpholineethanamine, N-(4-methyl-6-phenyl-3-pyridazinyl)-, monohydrochloride
CID 6410797
Pcs1055
CID 10894911
[2-(1-Benzyl-piperidin-4-yl)-ethyl]-(6-phenyl-pyridazin-3-yl)-amine; hydrochloride
CID 10067904
N-(2-(1-benzylpiperidin-4-yl)ethyl)-4-methyl-6-phenylpyridazin-3-amine
CID 11058147
N-(2-(1-benzylpiperidin-4-yl)ethyl)-4-isopropyl-6-phenylpyridazin-3-amine
CID 11825837
(5-Methyl-6-phenyl-pyridazin-3-yl)-(2-morpholin-4-yl-ethyl)-amine
CID 13218688
4-[6-[2,3-Bis(trifluoromethyl)phenyl]pyridazin-3-yl]morpholine
CID 46226085

Frequently Asked Questions

What is the IUPAC name of 6-(2-methylphenyl)-N-(4-morpholin-4-ylphenyl)pyridazin-3-amine?
The IUPAC name of 6-(2-methylphenyl)-N-(4-morpholin-4-ylphenyl)pyridazin-3-amine (CID 646977) is 6-(2-methylphenyl)-N-(4-morpholin-4-ylphenyl)pyridazin-3-amine.
What is the SMILES notation for 6-(2-methylphenyl)-N-(4-morpholin-4-ylphenyl)pyridazin-3-amine?
The canonical SMILES for 6-(2-methylphenyl)-N-(4-morpholin-4-ylphenyl)pyridazin-3-amine is Cc1ccccc1-c1ccc(Nc2ccc(N3CCOCC3)cc2)nn1.
What is the InChIKey of 6-(2-methylphenyl)-N-(4-morpholin-4-ylphenyl)pyridazin-3-amine?
The InChIKey is HIQWIQQAWFLYDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O/c1-16-4-2-3-5-19(16)20-10-11-21(24-23-20)22-17-6-8-18(9-7-17)25-12-14-26-15-13-25/h2-11H,12-15H2,1H3,(H,22,24).
What are the key properties of 6-(2-methylphenyl)-N-(4-morpholin-4-ylphenyl)pyridazin-3-amine?
6-(2-methylphenyl)-N-(4-morpholin-4-ylphenyl)pyridazin-3-amine has a molecular weight of 346.43 g/mol, XLogP of 4.03, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-methylphenyl)-N-(4-morpholin-4-ylphenyl)pyridazin-3-amine is sourced from PubChem (CID 646977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).