[6-[4-(3-methylphenyl)piperazin-1-yl]pyridazin-3-yl]-(4-methylpiperazin-1-yl)methanone

C21H28N6O — CID 109116337

IUPAC[6-[4-(3-methylphenyl)piperazin-1-yl]pyridazin-3-yl]-(4-methylpiperazin-1-yl)methanone
SMILESCc1cccc(N2CCN(c3ccc(C(=O)N4CCN(C)CC4)nn3)CC2)c1
InChIInChI=1S/C21H28N6O/c1-17-4-3-5-18(16-17)25-12-14-26(15-13-25)20-7-6-19(22-23-20)21(28)27-10-8-24(2)9-11-27/h3-7,16H,8-15H2,1-2H3
InChIKeyRZBQCWKBJVBMFT-UHFFFAOYSA-N
MW380.50 g/mol
LogP1.50
Rot. Bonds3

About [6-[4-(3-methylphenyl)piperazin-1-yl]pyridazin-3-yl]-(4-methylpiperazin-1-yl)methanone

[6-[4-(3-methylphenyl)piperazin-1-yl]pyridazin-3-yl]-(4-methylpiperazin-1-yl)methanone (PubChem CID 109116337) has the molecular formula C21H28N6O and a molecular weight of 380.50 g/mol. Its IUPAC name is [6-[4-(3-methylphenyl)piperazin-1-yl]pyridazin-3-yl]-(4-methylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name[6-[4-(3-methylphenyl)piperazin-1-yl]pyridazin-3-yl]-(4-methylpiperazin-1-yl)methanone
PubChem CID109116337
Molecular FormulaC21H28N6O
Molecular Weight380.50 g/mol
Exact Mass380.23
IUPAC Name[6-[4-(3-methylphenyl)piperazin-1-yl]pyridazin-3-yl]-(4-methylpiperazin-1-yl)methanone
SMILESCc1cccc(N2CCN(c3ccc(C(=O)N4CCN(C)CC4)nn3)CC2)c1
InChIInChI=1S/C21H28N6O/c1-17-4-3-5-18(16-17)25-12-14-26(15-13-25)20-7-6-19(22-23-20)21(28)27-10-8-24(2)9-11-27/h3-7,16H,8-15H2,1-2H3
InChIKeyRZBQCWKBJVBMFT-UHFFFAOYSA-N
XLogP1.50
TPSA55.81 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.50
LogP ≤ 51.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[6-(azepan-1-yl)pyridazin-3-yl]-[4-(3-methylphenyl)piperazin-1-yl]methanone
CID 109123948
[6-[4-(3-methylphenyl)piperazin-1-yl]pyridazin-3-yl]-piperidin-1-ylmethanone
CID 109112677
[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]-(4-phenylpiperazin-1-yl)methanone
CID 109116154
[2-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-[4-(3-methylphenyl)piperazin-1-yl]methanone
CID 109366897
[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]-pyrrolidin-1-ylmethanone
CID 109111898
[4-(3-chlorophenyl)piperazin-1-yl]-(6-pyrrolidin-1-ylpyridazin-3-yl)methanone
CID 109111774
azepan-1-yl-[6-[4-(3-chlorophenyl)piperazin-1-yl]pyridazin-3-yl]methanone
CID 109124006
(4-benzylpiperazin-1-yl)-[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]methanone
CID 109116153
[4-(3-methylphenyl)piperazin-1-yl]-[6-(prop-2-enylamino)pyridazin-3-yl]methanone
CID 109110246
[4-[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]piperazin-1-yl]-(1-methyltriazol-4-yl)methanone
CID 122336407
[4-(3-methylphenyl)piperazin-1-yl]-[1-(6-methylpyridazin-3-yl)piperidin-4-yl]methanone
CID 71794792
N-(5-methyl-1,2-oxazol-3-yl)-6-[4-(3-methylphenyl)piperazin-1-yl]pyridazine-3-carboxamide
CID 109123938

Frequently Asked Questions

What is the IUPAC name of [6-[4-(3-methylphenyl)piperazin-1-yl]pyridazin-3-yl]-(4-methylpiperazin-1-yl)methanone?
The IUPAC name of [6-[4-(3-methylphenyl)piperazin-1-yl]pyridazin-3-yl]-(4-methylpiperazin-1-yl)methanone (CID 109116337) is [6-[4-(3-methylphenyl)piperazin-1-yl]pyridazin-3-yl]-(4-methylpiperazin-1-yl)methanone.
What is the SMILES notation for [6-[4-(3-methylphenyl)piperazin-1-yl]pyridazin-3-yl]-(4-methylpiperazin-1-yl)methanone?
The canonical SMILES for [6-[4-(3-methylphenyl)piperazin-1-yl]pyridazin-3-yl]-(4-methylpiperazin-1-yl)methanone is Cc1cccc(N2CCN(c3ccc(C(=O)N4CCN(C)CC4)nn3)CC2)c1.
What is the InChIKey of [6-[4-(3-methylphenyl)piperazin-1-yl]pyridazin-3-yl]-(4-methylpiperazin-1-yl)methanone?
The InChIKey is RZBQCWKBJVBMFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N6O/c1-17-4-3-5-18(16-17)25-12-14-26(15-13-25)20-7-6-19(22-23-20)21(28)27-10-8-24(2)9-11-27/h3-7,16H,8-15H2,1-2H3.
What are the key properties of [6-[4-(3-methylphenyl)piperazin-1-yl]pyridazin-3-yl]-(4-methylpiperazin-1-yl)methanone?
[6-[4-(3-methylphenyl)piperazin-1-yl]pyridazin-3-yl]-(4-methylpiperazin-1-yl)methanone has a molecular weight of 380.50 g/mol, XLogP of 1.50, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [6-[4-(3-methylphenyl)piperazin-1-yl]pyridazin-3-yl]-(4-methylpiperazin-1-yl)methanone is sourced from PubChem (CID 109116337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).