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

C22H24N6O — CID 109121250

IUPAC[4-(3-methylphenyl)piperazin-1-yl]-[6-(pyridin-4-ylmethylamino)pyridazin-3-yl]methanone
SMILESCc1cccc(N2CCN(C(=O)c3ccc(NCc4ccncc4)nn3)CC2)c1
InChIInChI=1S/C22H24N6O/c1-17-3-2-4-19(15-17)27-11-13-28(14-12-27)22(29)20-5-6-21(26-25-20)24-16-18-7-9-23-10-8-18/h2-10,15H,11-14,16H2,1H3,(H,24,26)
InChIKeyZDZXRDKDLNVZSO-UHFFFAOYSA-N
MW388.48 g/mol
LogP2.75
Rot. Bonds5

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

[4-(3-methylphenyl)piperazin-1-yl]-[6-(pyridin-4-ylmethylamino)pyridazin-3-yl]methanone (PubChem CID 109121250) has the molecular formula C22H24N6O and a molecular weight of 388.48 g/mol. Its IUPAC name is [4-(3-methylphenyl)piperazin-1-yl]-[6-(pyridin-4-ylmethylamino)pyridazin-3-yl]methanone.

Molecular Properties

Compound Name[4-(3-methylphenyl)piperazin-1-yl]-[6-(pyridin-4-ylmethylamino)pyridazin-3-yl]methanone
PubChem CID109121250
Molecular FormulaC22H24N6O
Molecular Weight388.48 g/mol
Exact Mass388.20
IUPAC Name[4-(3-methylphenyl)piperazin-1-yl]-[6-(pyridin-4-ylmethylamino)pyridazin-3-yl]methanone
SMILESCc1cccc(N2CCN(C(=O)c3ccc(NCc4ccncc4)nn3)CC2)c1
InChIInChI=1S/C22H24N6O/c1-17-3-2-4-19(15-17)27-11-13-28(14-12-27)22(29)20-5-6-21(26-25-20)24-16-18-7-9-23-10-8-18/h2-10,15H,11-14,16H2,1H3,(H,24,26)
InChIKeyZDZXRDKDLNVZSO-UHFFFAOYSA-N
XLogP2.75
TPSA74.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.48
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [4-(3-methylphenyl)piperazin-1-yl]-[6-(pyridin-4-ylmethylamino)pyridazin-3-yl]methanone with MolForge

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Related Compounds

[4-(3-methylphenyl)piperazin-1-yl]-[6-(prop-2-enylamino)pyridazin-3-yl]methanone
CID 109110246
[5-(benzylamino)pyrazin-2-yl]-[4-(3-methylphenyl)piperazin-1-yl]methanone
CID 109279832
6-[(3-methylphenyl)methylamino]-N-(pyridin-4-ylmethyl)pyridazine-3-carboxamide
CID 109118240
[6-[4-(3-methylphenyl)piperazin-1-yl]pyridazin-3-yl]-(4-methylpiperazin-1-yl)methanone
CID 109116337
[6-(azepan-1-yl)pyridazin-3-yl]-[4-(3-methylphenyl)piperazin-1-yl]methanone
CID 109123948
1-[4-(3-methylphenyl)piperazine-1-carbonyl]-N-(pyridin-4-ylmethyl)cyclopropane-1-carboxamide
CID 108976949
[6-(benzylamino)pyridazin-3-yl]-pyrrolidin-1-ylmethanone
CID 109111903
[6-[4-(3-methylphenyl)piperazin-1-yl]pyridazin-3-yl]-piperidin-1-ylmethanone
CID 109112677
[4-(3-chlorophenyl)piperazin-1-yl]-[6-(3-methoxypropylamino)pyridazin-3-yl]methanone
CID 109114135
[6-(butylamino)pyridazin-3-yl]-(4-phenylpiperazin-1-yl)methanone
CID 109110625
[4-(3-methylphenyl)piperazin-1-yl]-[4-(2-methylpropylamino)-2-pyridinyl]methanone
CID 109203100
[6-(butylamino)-2-methylpyrimidin-4-yl]-[4-(3-methylphenyl)piperazin-1-yl]methanone
CID 109361604

Frequently Asked Questions

What is the IUPAC name of [4-(3-methylphenyl)piperazin-1-yl]-[6-(pyridin-4-ylmethylamino)pyridazin-3-yl]methanone?
The IUPAC name of [4-(3-methylphenyl)piperazin-1-yl]-[6-(pyridin-4-ylmethylamino)pyridazin-3-yl]methanone (CID 109121250) is [4-(3-methylphenyl)piperazin-1-yl]-[6-(pyridin-4-ylmethylamino)pyridazin-3-yl]methanone.
What is the SMILES notation for [4-(3-methylphenyl)piperazin-1-yl]-[6-(pyridin-4-ylmethylamino)pyridazin-3-yl]methanone?
The canonical SMILES for [4-(3-methylphenyl)piperazin-1-yl]-[6-(pyridin-4-ylmethylamino)pyridazin-3-yl]methanone is Cc1cccc(N2CCN(C(=O)c3ccc(NCc4ccncc4)nn3)CC2)c1.
What is the InChIKey of [4-(3-methylphenyl)piperazin-1-yl]-[6-(pyridin-4-ylmethylamino)pyridazin-3-yl]methanone?
The InChIKey is ZDZXRDKDLNVZSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N6O/c1-17-3-2-4-19(15-17)27-11-13-28(14-12-27)22(29)20-5-6-21(26-25-20)24-16-18-7-9-23-10-8-18/h2-10,15H,11-14,16H2,1H3,(H,24,26).
What are the key properties of [4-(3-methylphenyl)piperazin-1-yl]-[6-(pyridin-4-ylmethylamino)pyridazin-3-yl]methanone?
[4-(3-methylphenyl)piperazin-1-yl]-[6-(pyridin-4-ylmethylamino)pyridazin-3-yl]methanone has a molecular weight of 388.48 g/mol, XLogP of 2.75, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3-methylphenyl)piperazin-1-yl]-[6-(pyridin-4-ylmethylamino)pyridazin-3-yl]methanone is sourced from PubChem (CID 109121250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).