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

C21H27N5O2 — CID 7292472

IUPAC(3,4-dimethylphenyl)-[4-(6-morpholin-4-ylpyridazin-3-yl)piperazin-1-yl]methanone
SMILESCc1ccc(C(=O)N2CCN(c3ccc(N4CCOCC4)nn3)CC2)cc1C
InChIInChI=1S/C21H27N5O2/c1-16-3-4-18(15-17(16)2)21(27)26-9-7-24(8-10-26)19-5-6-20(23-22-19)25-11-13-28-14-12-25/h3-6,15H,7-14H2,1-2H3
InChIKeyFVOSCERNDHDEEN-UHFFFAOYSA-N
MW381.48 g/mol
LogP1.89
Rot. Bonds3

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

(3,4-dimethylphenyl)-[4-(6-morpholin-4-ylpyridazin-3-yl)piperazin-1-yl]methanone (PubChem CID 7292472) has the molecular formula C21H27N5O2 and a molecular weight of 381.48 g/mol. Its IUPAC name is (3,4-dimethylphenyl)-[4-(6-morpholin-4-ylpyridazin-3-yl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(3,4-dimethylphenyl)-[4-(6-morpholin-4-ylpyridazin-3-yl)piperazin-1-yl]methanone
PubChem CID7292472
Molecular FormulaC21H27N5O2
Molecular Weight381.48 g/mol
Exact Mass381.22
IUPAC Name(3,4-dimethylphenyl)-[4-(6-morpholin-4-ylpyridazin-3-yl)piperazin-1-yl]methanone
SMILESCc1ccc(C(=O)N2CCN(c3ccc(N4CCOCC4)nn3)CC2)cc1C
InChIInChI=1S/C21H27N5O2/c1-16-3-4-18(15-17(16)2)21(27)26-9-7-24(8-10-26)19-5-6-20(23-22-19)25-11-13-28-14-12-25/h3-6,15H,7-14H2,1-2H3
InChIKeyFVOSCERNDHDEEN-UHFFFAOYSA-N
XLogP1.89
TPSA61.80 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.48
LogP ≤ 51.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (3,4-dimethylphenyl)-[4-(6-morpholin-4-ylpyridazin-3-yl)piperazin-1-yl]methanone?
The IUPAC name of (3,4-dimethylphenyl)-[4-(6-morpholin-4-ylpyridazin-3-yl)piperazin-1-yl]methanone (CID 7292472) is (3,4-dimethylphenyl)-[4-(6-morpholin-4-ylpyridazin-3-yl)piperazin-1-yl]methanone.
What is the SMILES notation for (3,4-dimethylphenyl)-[4-(6-morpholin-4-ylpyridazin-3-yl)piperazin-1-yl]methanone?
The canonical SMILES for (3,4-dimethylphenyl)-[4-(6-morpholin-4-ylpyridazin-3-yl)piperazin-1-yl]methanone is Cc1ccc(C(=O)N2CCN(c3ccc(N4CCOCC4)nn3)CC2)cc1C.
What is the InChIKey of (3,4-dimethylphenyl)-[4-(6-morpholin-4-ylpyridazin-3-yl)piperazin-1-yl]methanone?
The InChIKey is FVOSCERNDHDEEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N5O2/c1-16-3-4-18(15-17(16)2)21(27)26-9-7-24(8-10-26)19-5-6-20(23-22-19)25-11-13-28-14-12-25/h3-6,15H,7-14H2,1-2H3.
What are the key properties of (3,4-dimethylphenyl)-[4-(6-morpholin-4-ylpyridazin-3-yl)piperazin-1-yl]methanone?
(3,4-dimethylphenyl)-[4-(6-morpholin-4-ylpyridazin-3-yl)piperazin-1-yl]methanone has a molecular weight of 381.48 g/mol, XLogP of 1.89, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3,4-dimethylphenyl)-[4-(6-morpholin-4-ylpyridazin-3-yl)piperazin-1-yl]methanone is sourced from PubChem (CID 7292472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).