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

C20H25N5O2 — CID 7292471

IUPAC(4-methylphenyl)-[4-(6-morpholin-4-ylpyridazin-3-yl)piperazin-1-yl]methanone
SMILESCc1ccc(C(=O)N2CCN(c3ccc(N4CCOCC4)nn3)CC2)cc1
InChIInChI=1S/C20H25N5O2/c1-16-2-4-17(5-3-16)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
InChIKeyAMKMDRWVSHOUKC-UHFFFAOYSA-N
MW367.45 g/mol
LogP1.58
Rot. Bonds3

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

(4-methylphenyl)-[4-(6-morpholin-4-ylpyridazin-3-yl)piperazin-1-yl]methanone (PubChem CID 7292471) has the molecular formula C20H25N5O2 and a molecular weight of 367.45 g/mol. Its IUPAC name is (4-methylphenyl)-[4-(6-morpholin-4-ylpyridazin-3-yl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(4-methylphenyl)-[4-(6-morpholin-4-ylpyridazin-3-yl)piperazin-1-yl]methanone
PubChem CID7292471
Molecular FormulaC20H25N5O2
Molecular Weight367.45 g/mol
Exact Mass367.20
IUPAC Name(4-methylphenyl)-[4-(6-morpholin-4-ylpyridazin-3-yl)piperazin-1-yl]methanone
SMILESCc1ccc(C(=O)N2CCN(c3ccc(N4CCOCC4)nn3)CC2)cc1
InChIInChI=1S/C20H25N5O2/c1-16-2-4-17(5-3-16)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
InChIKeyAMKMDRWVSHOUKC-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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Frequently Asked Questions

What is the IUPAC name of (4-methylphenyl)-[4-(6-morpholin-4-ylpyridazin-3-yl)piperazin-1-yl]methanone?
The IUPAC name of (4-methylphenyl)-[4-(6-morpholin-4-ylpyridazin-3-yl)piperazin-1-yl]methanone (CID 7292471) is (4-methylphenyl)-[4-(6-morpholin-4-ylpyridazin-3-yl)piperazin-1-yl]methanone.
What is the SMILES notation for (4-methylphenyl)-[4-(6-morpholin-4-ylpyridazin-3-yl)piperazin-1-yl]methanone?
The canonical SMILES for (4-methylphenyl)-[4-(6-morpholin-4-ylpyridazin-3-yl)piperazin-1-yl]methanone is Cc1ccc(C(=O)N2CCN(c3ccc(N4CCOCC4)nn3)CC2)cc1.
What is the InChIKey of (4-methylphenyl)-[4-(6-morpholin-4-ylpyridazin-3-yl)piperazin-1-yl]methanone?
The InChIKey is AMKMDRWVSHOUKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N5O2/c1-16-2-4-17(5-3-16)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 (4-methylphenyl)-[4-(6-morpholin-4-ylpyridazin-3-yl)piperazin-1-yl]methanone?
(4-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 (4-methylphenyl)-[4-(6-morpholin-4-ylpyridazin-3-yl)piperazin-1-yl]methanone is sourced from PubChem (CID 7292471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).