3-methyl-4-phenyl-6-[4-(pyridin-4-ylmethyl)piperazin-1-yl]pyridazine

C21H23N5 — CID 167752923

IUPAC3-methyl-4-phenyl-6-[4-(pyridin-4-ylmethyl)piperazin-1-yl]pyridazine
SMILESCc1nnc(N2CCN(Cc3ccncc3)CC2)cc1-c1ccccc1
InChIInChI=1S/C21H23N5/c1-17-20(19-5-3-2-4-6-19)15-21(24-23-17)26-13-11-25(12-14-26)16-18-7-9-22-10-8-18/h2-10,15H,11-14,16H2,1H3
InChIKeyQTQRNKGGOQKUBQ-UHFFFAOYSA-N
MW345.45 g/mol
LogP3.17
Rot. Bonds4

About 3-methyl-4-phenyl-6-[4-(pyridin-4-ylmethyl)piperazin-1-yl]pyridazine

3-methyl-4-phenyl-6-[4-(pyridin-4-ylmethyl)piperazin-1-yl]pyridazine (PubChem CID 167752923) has the molecular formula C21H23N5 and a molecular weight of 345.45 g/mol. Its IUPAC name is 3-methyl-4-phenyl-6-[4-(pyridin-4-ylmethyl)piperazin-1-yl]pyridazine.

Molecular Properties

Compound Name3-methyl-4-phenyl-6-[4-(pyridin-4-ylmethyl)piperazin-1-yl]pyridazine
PubChem CID167752923
Molecular FormulaC21H23N5
Molecular Weight345.45 g/mol
Exact Mass345.20
IUPAC Name3-methyl-4-phenyl-6-[4-(pyridin-4-ylmethyl)piperazin-1-yl]pyridazine
SMILESCc1nnc(N2CCN(Cc3ccncc3)CC2)cc1-c1ccccc1
InChIInChI=1S/C21H23N5/c1-17-20(19-5-3-2-4-6-19)15-21(24-23-17)26-13-11-25(12-14-26)16-18-7-9-22-10-8-18/h2-10,15H,11-14,16H2,1H3
InChIKeyQTQRNKGGOQKUBQ-UHFFFAOYSA-N
XLogP3.17
TPSA45.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.45
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-phenyl-6-[4-(pyridin-4-ylmethyl)piperazin-1-yl]pyrimidine
CID 58273412
3-methyl-2-phenyl-6-[4-(pyridin-4-ylmethyl)piperazin-1-yl]imidazo[1,2-b]pyridazine
CID 57407086
N,N-dimethyl-6-[4-(pyridin-4-ylmethyl)piperazin-1-yl]pyridazin-3-amine
CID 154583206
cadmium(2+);tetrakis(1-pyridin-2-yl-4-(pyridin-4-ylmethyl)piperazine);diperchlorate
CID 139076164
2-methyl-4-piperidin-1-yl-6-[4-(pyridin-4-ylmethyl)piperazin-1-yl]pyrimidine
CID 166605105
1-(pyridin-4-ylmethyl)-4-[[4-[[4-(pyridin-4-ylmethyl)piperazin-1-yl]methyl]phenyl]methyl]piperazine
CID 132515507
1-pyridin-2-yl-4-(pyridin-4-ylmethyl)-1,4-diazepane
CID 95811327
N-phenyl-6-[4-(pyridin-4-ylmethyl)piperazin-1-yl]pyridazine-3-carboxamide
CID 133313399
2-methyl-4-pyrazol-1-yl-6-[4-(pyridin-4-ylmethyl)piperazin-1-yl]pyrimidine
CID 154830051
2-[4-[6-(4-benzylpiperazin-1-yl)pyridazin-3-yl]piperazin-1-yl]ethanol
CID 171701163
2-[4-(pyridin-4-ylmethyl)piperazin-1-yl]quinoline-4-carbonitrile
CID 171334885
2-(4-benzylpiperazin-1-yl)-5-methylpyrazine
CID 67976848

Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-phenyl-6-[4-(pyridin-4-ylmethyl)piperazin-1-yl]pyridazine?
The IUPAC name of 3-methyl-4-phenyl-6-[4-(pyridin-4-ylmethyl)piperazin-1-yl]pyridazine (CID 167752923) is 3-methyl-4-phenyl-6-[4-(pyridin-4-ylmethyl)piperazin-1-yl]pyridazine.
What is the SMILES notation for 3-methyl-4-phenyl-6-[4-(pyridin-4-ylmethyl)piperazin-1-yl]pyridazine?
The canonical SMILES for 3-methyl-4-phenyl-6-[4-(pyridin-4-ylmethyl)piperazin-1-yl]pyridazine is Cc1nnc(N2CCN(Cc3ccncc3)CC2)cc1-c1ccccc1.
What is the InChIKey of 3-methyl-4-phenyl-6-[4-(pyridin-4-ylmethyl)piperazin-1-yl]pyridazine?
The InChIKey is QTQRNKGGOQKUBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N5/c1-17-20(19-5-3-2-4-6-19)15-21(24-23-17)26-13-11-25(12-14-26)16-18-7-9-22-10-8-18/h2-10,15H,11-14,16H2,1H3.
What are the key properties of 3-methyl-4-phenyl-6-[4-(pyridin-4-ylmethyl)piperazin-1-yl]pyridazine?
3-methyl-4-phenyl-6-[4-(pyridin-4-ylmethyl)piperazin-1-yl]pyridazine has a molecular weight of 345.45 g/mol, XLogP of 3.17, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-phenyl-6-[4-(pyridin-4-ylmethyl)piperazin-1-yl]pyridazine is sourced from PubChem (CID 167752923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).