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

C20H25N5O2 — CID 7292470

IUPAC(2-methylphenyl)-[4-(6-morpholin-4-ylpyridazin-3-yl)piperazin-1-yl]methanone
SMILESCc1ccccc1C(=O)N1CCN(c2ccc(N3CCOCC3)nn2)CC1
InChIInChI=1S/C20H25N5O2/c1-16-4-2-3-5-17(16)20(26)25-10-8-23(9-11-25)18-6-7-19(22-21-18)24-12-14-27-15-13-24/h2-7H,8-15H2,1H3
InChIKeyLFEXNAVTYWLFCR-UHFFFAOYSA-N
MW367.45 g/mol
LogP1.58
Rot. Bonds3

About (2-methylphenyl)-[4-(6-morpholin-4-ylpyridazin-3-yl)piperazin-1-yl]methanone

(2-methylphenyl)-[4-(6-morpholin-4-ylpyridazin-3-yl)piperazin-1-yl]methanone (PubChem CID 7292470) has the molecular formula C20H25N5O2 and a molecular weight of 367.45 g/mol. Its IUPAC name is (2-methylphenyl)-[4-(6-morpholin-4-ylpyridazin-3-yl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(2-methylphenyl)-[4-(6-morpholin-4-ylpyridazin-3-yl)piperazin-1-yl]methanone
PubChem CID7292470
Molecular FormulaC20H25N5O2
Molecular Weight367.45 g/mol
Exact Mass367.20
IUPAC Name(2-methylphenyl)-[4-(6-morpholin-4-ylpyridazin-3-yl)piperazin-1-yl]methanone
SMILESCc1ccccc1C(=O)N1CCN(c2ccc(N3CCOCC3)nn2)CC1
InChIInChI=1S/C20H25N5O2/c1-16-4-2-3-5-17(16)20(26)25-10-8-23(9-11-25)18-6-7-19(22-21-18)24-12-14-27-15-13-24/h2-7H,8-15H2,1H3
InChIKeyLFEXNAVTYWLFCR-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

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Related Compounds

(2-methylphenyl)-[4-(5-morpholin-4-ylpyridazin-3-yl)piperazin-1-yl]methanone
CID 91968809
(2-methylphenyl)-[4-[6-[(5-methyl-2-pyridinyl)amino]pyridazin-3-yl]piperazin-1-yl]methanone
CID 56919498
[4-(6-morpholin-4-ylpyridazin-3-yl)piperazin-1-yl]-pyridin-2-ylmethanone
CID 122335131
2-(2-methylphenoxy)-1-[4-(6-morpholin-4-ylpyridazin-3-yl)piperazin-1-yl]ethanone
CID 122335212
[4-(6-cyclohexyloxypyridazin-3-yl)piperazin-1-yl]-(2-methylphenyl)methanone
CID 30773694
(2-fluorophenyl)-[4-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)piperazin-1-yl]methanone
CID 46267906
[4-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)piperazin-1-yl]-(2-methylphenyl)methanone
CID 122281033
[4-(4-hydroxyphenyl)piperazin-1-yl]-(2-methylphenyl)methanone
CID 78777425
(2-methylphenyl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 896524
(4-methyl-1,3-thiazol-5-yl)-[4-(6-morpholin-4-ylpyridazin-3-yl)piperazin-1-yl]methanone
CID 122335319
(4-bromophenyl)-[4-(6-morpholin-4-ylpyridazin-3-yl)piperazin-1-yl]methanone
CID 20867063
(2S)-2-[4-(2-methylbenzoyl)piperazin-1-yl]-1-morpholin-4-ylpropan-1-one
CID 95303672

Frequently Asked Questions

What is the IUPAC name of (2-methylphenyl)-[4-(6-morpholin-4-ylpyridazin-3-yl)piperazin-1-yl]methanone?
The IUPAC name of (2-methylphenyl)-[4-(6-morpholin-4-ylpyridazin-3-yl)piperazin-1-yl]methanone (CID 7292470) is (2-methylphenyl)-[4-(6-morpholin-4-ylpyridazin-3-yl)piperazin-1-yl]methanone.
What is the SMILES notation for (2-methylphenyl)-[4-(6-morpholin-4-ylpyridazin-3-yl)piperazin-1-yl]methanone?
The canonical SMILES for (2-methylphenyl)-[4-(6-morpholin-4-ylpyridazin-3-yl)piperazin-1-yl]methanone is Cc1ccccc1C(=O)N1CCN(c2ccc(N3CCOCC3)nn2)CC1.
What is the InChIKey of (2-methylphenyl)-[4-(6-morpholin-4-ylpyridazin-3-yl)piperazin-1-yl]methanone?
The InChIKey is LFEXNAVTYWLFCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N5O2/c1-16-4-2-3-5-17(16)20(26)25-10-8-23(9-11-25)18-6-7-19(22-21-18)24-12-14-27-15-13-24/h2-7H,8-15H2,1H3.
What are the key properties of (2-methylphenyl)-[4-(6-morpholin-4-ylpyridazin-3-yl)piperazin-1-yl]methanone?
(2-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 (2-methylphenyl)-[4-(6-morpholin-4-ylpyridazin-3-yl)piperazin-1-yl]methanone is sourced from PubChem (CID 7292470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).