6-(4-methylpiperazin-1-yl)-3-phenyl-4-pyridin-4-ylpyridazine

C20H21N5 — CID 59867414

IUPAC6-(4-methylpiperazin-1-yl)-3-phenyl-4-pyridin-4-ylpyridazine
SMILESCN1CCN(c2cc(-c3ccncc3)c(-c3ccccc3)nn2)CC1
InChIInChI=1S/C20H21N5/c1-24-11-13-25(14-12-24)19-15-18(16-7-9-21-10-8-16)20(23-22-19)17-5-3-2-4-6-17/h2-10,15H,11-14H2,1H3
InChIKeyCXPCCLCRWYXEET-UHFFFAOYSA-N
MW331.42 g/mol
LogP2.96
Rot. Bonds3

About 6-(4-methylpiperazin-1-yl)-3-phenyl-4-pyridin-4-ylpyridazine

6-(4-methylpiperazin-1-yl)-3-phenyl-4-pyridin-4-ylpyridazine (PubChem CID 59867414) has the molecular formula C20H21N5 and a molecular weight of 331.42 g/mol. Its IUPAC name is 6-(4-methylpiperazin-1-yl)-3-phenyl-4-pyridin-4-ylpyridazine.

Molecular Properties

Compound Name6-(4-methylpiperazin-1-yl)-3-phenyl-4-pyridin-4-ylpyridazine
PubChem CID59867414
Molecular FormulaC20H21N5
Molecular Weight331.42 g/mol
Exact Mass331.18
IUPAC Name6-(4-methylpiperazin-1-yl)-3-phenyl-4-pyridin-4-ylpyridazine
SMILESCN1CCN(c2cc(-c3ccncc3)c(-c3ccccc3)nn2)CC1
InChIInChI=1S/C20H21N5/c1-24-11-13-25(14-12-24)19-15-18(16-7-9-21-10-8-16)20(23-22-19)17-5-3-2-4-6-17/h2-10,15H,11-14H2,1H3
InChIKeyCXPCCLCRWYXEET-UHFFFAOYSA-N
XLogP2.96
TPSA45.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.42
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(4-methylpiperazin-1-yl)-3-phenyl-4-pyridin-4-ylpyridazine?
The IUPAC name of 6-(4-methylpiperazin-1-yl)-3-phenyl-4-pyridin-4-ylpyridazine (CID 59867414) is 6-(4-methylpiperazin-1-yl)-3-phenyl-4-pyridin-4-ylpyridazine.
What is the SMILES notation for 6-(4-methylpiperazin-1-yl)-3-phenyl-4-pyridin-4-ylpyridazine?
The canonical SMILES for 6-(4-methylpiperazin-1-yl)-3-phenyl-4-pyridin-4-ylpyridazine is CN1CCN(c2cc(-c3ccncc3)c(-c3ccccc3)nn2)CC1.
What is the InChIKey of 6-(4-methylpiperazin-1-yl)-3-phenyl-4-pyridin-4-ylpyridazine?
The InChIKey is CXPCCLCRWYXEET-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N5/c1-24-11-13-25(14-12-24)19-15-18(16-7-9-21-10-8-16)20(23-22-19)17-5-3-2-4-6-17/h2-10,15H,11-14H2,1H3.
What are the key properties of 6-(4-methylpiperazin-1-yl)-3-phenyl-4-pyridin-4-ylpyridazine?
6-(4-methylpiperazin-1-yl)-3-phenyl-4-pyridin-4-ylpyridazine has a molecular weight of 331.42 g/mol, XLogP of 2.96, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-methylpiperazin-1-yl)-3-phenyl-4-pyridin-4-ylpyridazine is sourced from PubChem (CID 59867414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).