(3-methylphenyl)-[4-(6-morpholin-4-ylpyridazin-3-yl)piperazin-1-yl]methanone

C20H25N5O2 — CID 6622520

IUPAC(3-methylphenyl)-[4-(6-morpholin-4-ylpyridazin-3-yl)piperazin-1-yl]methanone
SMILESCc1cccc(C(=O)N2CCN(c3ccc(N4CCOCC4)nn3)CC2)c1
InChIInChI=1S/C20H25N5O2/c1-16-3-2-4-17(15-16)20(26)25-9-7-23(8-10-25)18-5-6-19(22-21-18)24-11-13-27-14-12-24/h2-6,15H,7-14H2,1H3
InChIKeyQWUBGOUFWPBASE-UHFFFAOYSA-N
MW367.45 g/mol
LogP1.58
Rot. Bonds3

About (3-methylphenyl)-[4-(6-morpholin-4-ylpyridazin-3-yl)piperazin-1-yl]methanone

(3-methylphenyl)-[4-(6-morpholin-4-ylpyridazin-3-yl)piperazin-1-yl]methanone (PubChem CID 6622520) has the molecular formula C20H25N5O2 and a molecular weight of 367.45 g/mol. Its IUPAC name is (3-methylphenyl)-[4-(6-morpholin-4-ylpyridazin-3-yl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(3-methylphenyl)-[4-(6-morpholin-4-ylpyridazin-3-yl)piperazin-1-yl]methanone
PubChem CID6622520
Molecular FormulaC20H25N5O2
Molecular Weight367.45 g/mol
Exact Mass367.20
IUPAC Name(3-methylphenyl)-[4-(6-morpholin-4-ylpyridazin-3-yl)piperazin-1-yl]methanone
SMILESCc1cccc(C(=O)N2CCN(c3ccc(N4CCOCC4)nn3)CC2)c1
InChIInChI=1S/C20H25N5O2/c1-16-3-2-4-17(15-16)20(26)25-9-7-23(8-10-25)18-5-6-19(22-21-18)24-11-13-27-14-12-24/h2-6,15H,7-14H2,1H3
InChIKeyQWUBGOUFWPBASE-UHFFFAOYSA-N
XLogP1.58
TPSA61.80 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.45
LogP ≤ 51.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze (3-methylphenyl)-[4-(6-morpholin-4-ylpyridazin-3-yl)piperazin-1-yl]methanone with MolForge

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Related Compounds

(r)-(3-Methyl-4-(4-(4-morpholinophenyl)phthalazin-1-yl)piperazin-1-yl)(phenyl)methanone
CID 49862221
(4-(6-Morpholinopyridazin-3-yl)piperazin-1-yl)(o-tolyl)methanone
CID 7292470
4-{6-[4-(4-Methylbenzoyl)piperazin-1-yl]pyridazin-3-yl}morpholine
CID 7292471
(3,4-Dimethylphenyl)(4-(6-morpholinopyridazin-3-yl)piperazin-1-yl)methanone
CID 7292472
(3-Chlorophenyl)(4-(6-morpholinopyridazin-3-yl)piperazin-1-yl)methanone
CID 7292483
N-(3-(6-morpholinopyridazin-3-yl)phenyl)benzamide
CID 7422444
2-methyl-N-[3-(6-morpholin-4-ylpyridazin-3-yl)phenyl]benzamide
CID 7422445
4-methyl-N-(3-(6-morpholinopyridazin-3-yl)phenyl)benzamide
CID 7422446
(3-Bromophenyl)(4-(6-morpholinopyridazin-3-yl)piperazin-1-yl)methanone
CID 16799795
4-{6-[4-(2,4-Dichlorobenzoyl)piperazin-1-yl]pyridazin-3-yl}morpholine
CID 16799796
(4-Fluorophenyl)-[4-(6-morpholin-4-ylpyridazin-3-yl)piperazin-1-yl]methanone
CID 7292481
6-[4-(2-TRIFLUOROMETHYLBENZOYL)PIPERAZIN-1-YL]PYRIDAZINE-3-CARBOXYLIC Acid (2-ETHOXYETHYL)AMIDE
CID 67011929

Frequently Asked Questions

What is the IUPAC name of (3-methylphenyl)-[4-(6-morpholin-4-ylpyridazin-3-yl)piperazin-1-yl]methanone?
The IUPAC name of (3-methylphenyl)-[4-(6-morpholin-4-ylpyridazin-3-yl)piperazin-1-yl]methanone (CID 6622520) is (3-methylphenyl)-[4-(6-morpholin-4-ylpyridazin-3-yl)piperazin-1-yl]methanone.
What is the SMILES notation for (3-methylphenyl)-[4-(6-morpholin-4-ylpyridazin-3-yl)piperazin-1-yl]methanone?
The canonical SMILES for (3-methylphenyl)-[4-(6-morpholin-4-ylpyridazin-3-yl)piperazin-1-yl]methanone is Cc1cccc(C(=O)N2CCN(c3ccc(N4CCOCC4)nn3)CC2)c1.
What is the InChIKey of (3-methylphenyl)-[4-(6-morpholin-4-ylpyridazin-3-yl)piperazin-1-yl]methanone?
The InChIKey is QWUBGOUFWPBASE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N5O2/c1-16-3-2-4-17(15-16)20(26)25-9-7-23(8-10-25)18-5-6-19(22-21-18)24-11-13-27-14-12-24/h2-6,15H,7-14H2,1H3.
What are the key properties of (3-methylphenyl)-[4-(6-morpholin-4-ylpyridazin-3-yl)piperazin-1-yl]methanone?
(3-methylphenyl)-[4-(6-morpholin-4-ylpyridazin-3-yl)piperazin-1-yl]methanone has a molecular weight of 367.45 g/mol, XLogP of 1.58, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methylphenyl)-[4-(6-morpholin-4-ylpyridazin-3-yl)piperazin-1-yl]methanone is sourced from PubChem (CID 6622520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).