(2-methylphenyl)-[4-(5-morpholin-4-ylpyridazin-3-yl)piperazin-1-yl]methanone

C20H25N5O2 — CID 91968809

IUPAC(2-methylphenyl)-[4-(5-morpholin-4-ylpyridazin-3-yl)piperazin-1-yl]methanone
SMILESCc1ccccc1C(=O)N1CCN(c2cc(N3CCOCC3)cnn2)CC1
InChIInChI=1S/C20H25N5O2/c1-16-4-2-3-5-18(16)20(26)25-8-6-24(7-9-25)19-14-17(15-21-22-19)23-10-12-27-13-11-23/h2-5,14-15H,6-13H2,1H3
InChIKeyDXMZFXIRFLPPDM-UHFFFAOYSA-N
MW367.45 g/mol
LogP1.58
Rot. Bonds3

About (2-methylphenyl)-[4-(5-morpholin-4-ylpyridazin-3-yl)piperazin-1-yl]methanone

(2-methylphenyl)-[4-(5-morpholin-4-ylpyridazin-3-yl)piperazin-1-yl]methanone (PubChem CID 91968809) has the molecular formula C20H25N5O2 and a molecular weight of 367.45 g/mol. Its IUPAC name is (2-methylphenyl)-[4-(5-morpholin-4-ylpyridazin-3-yl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(2-methylphenyl)-[4-(5-morpholin-4-ylpyridazin-3-yl)piperazin-1-yl]methanone
PubChem CID91968809
Molecular FormulaC20H25N5O2
Molecular Weight367.45 g/mol
Exact Mass367.20
IUPAC Name(2-methylphenyl)-[4-(5-morpholin-4-ylpyridazin-3-yl)piperazin-1-yl]methanone
SMILESCc1ccccc1C(=O)N1CCN(c2cc(N3CCOCC3)cnn2)CC1
InChIInChI=1S/C20H25N5O2/c1-16-4-2-3-5-18(16)20(26)25-8-6-24(7-9-25)19-14-17(15-21-22-19)23-10-12-27-13-11-23/h2-5,14-15H,6-13H2,1H3
InChIKeyDXMZFXIRFLPPDM-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-(6-morpholin-4-ylpyridazin-3-yl)piperazin-1-yl]methanone
CID 7292470
N-(2-methylphenyl)-4-(5-morpholin-4-ylpyridazin-3-yl)piperazine-1-carboxamide
CID 91968888
(2,3-dimethoxyphenyl)-[4-(5-morpholin-4-ylpyridazin-3-yl)piperazin-1-yl]methanone
CID 121137255
(2-methoxy-3-pyridinyl)-[4-(5-morpholin-4-ylpyridazin-3-yl)piperazin-1-yl]methanone
CID 122355432
(2,4-dichlorophenyl)-[4-(6-morpholin-4-ylpyridazin-4-yl)piperazin-1-yl]methanone
CID 91968972
furan-2-yl-[4-(5-morpholin-4-ylpyridazin-3-yl)piperazin-1-yl]methanone
CID 91968843
(4-tert-butylphenyl)-[4-(6-morpholin-4-ylpyridazin-4-yl)piperazin-1-yl]methanone
CID 91968957
1-benzofuran-2-yl-[4-(6-morpholin-4-ylpyridazin-4-yl)piperazin-1-yl]methanone
CID 122355631
1-benzothiophen-2-yl-[4-(6-morpholin-4-ylpyridazin-4-yl)piperazin-1-yl]methanone
CID 122355684
1-[4-(5-morpholin-4-ylpyridazin-3-yl)piperazin-1-yl]-3-phenylpropan-1-one
CID 91968837
[4-(5-morpholin-4-ylpyridazin-3-yl)piperazin-1-yl]-[3-(trifluoromethyl)phenyl]methanone
CID 91968830
2-(3-methylphenyl)-1-[4-(6-morpholin-4-ylpyridazin-4-yl)piperazin-1-yl]ethanone
CID 122355628

Frequently Asked Questions

What is the IUPAC name of (2-methylphenyl)-[4-(5-morpholin-4-ylpyridazin-3-yl)piperazin-1-yl]methanone?
The IUPAC name of (2-methylphenyl)-[4-(5-morpholin-4-ylpyridazin-3-yl)piperazin-1-yl]methanone (CID 91968809) is (2-methylphenyl)-[4-(5-morpholin-4-ylpyridazin-3-yl)piperazin-1-yl]methanone.
What is the SMILES notation for (2-methylphenyl)-[4-(5-morpholin-4-ylpyridazin-3-yl)piperazin-1-yl]methanone?
The canonical SMILES for (2-methylphenyl)-[4-(5-morpholin-4-ylpyridazin-3-yl)piperazin-1-yl]methanone is Cc1ccccc1C(=O)N1CCN(c2cc(N3CCOCC3)cnn2)CC1.
What is the InChIKey of (2-methylphenyl)-[4-(5-morpholin-4-ylpyridazin-3-yl)piperazin-1-yl]methanone?
The InChIKey is DXMZFXIRFLPPDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N5O2/c1-16-4-2-3-5-18(16)20(26)25-8-6-24(7-9-25)19-14-17(15-21-22-19)23-10-12-27-13-11-23/h2-5,14-15H,6-13H2,1H3.
What are the key properties of (2-methylphenyl)-[4-(5-morpholin-4-ylpyridazin-3-yl)piperazin-1-yl]methanone?
(2-methylphenyl)-[4-(5-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-(5-morpholin-4-ylpyridazin-3-yl)piperazin-1-yl]methanone is sourced from PubChem (CID 91968809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).