4,6-diphenyl-3-(4-pyrimidin-2-ylpiperazin-1-yl)pyridazine

C24H22N6 — CID 23628246

IUPAC4,6-diphenyl-3-(4-pyrimidin-2-ylpiperazin-1-yl)pyridazine
SMILESc1ccc(-c2cc(-c3ccccc3)c(N3CCN(c4ncccn4)CC3)nn2)cc1
InChIInChI=1S/C24H22N6/c1-3-8-19(9-4-1)21-18-22(20-10-5-2-6-11-20)27-28-23(21)29-14-16-30(17-15-29)24-25-12-7-13-26-24/h1-13,18H,14-17H2
InChIKeyYUGRWLHLWREHAP-UHFFFAOYSA-N
MW394.48 g/mol
LogP3.93
Rot. Bonds4

About 4,6-diphenyl-3-(4-pyrimidin-2-ylpiperazin-1-yl)pyridazine

4,6-diphenyl-3-(4-pyrimidin-2-ylpiperazin-1-yl)pyridazine (PubChem CID 23628246) has the molecular formula C24H22N6 and a molecular weight of 394.48 g/mol. Its IUPAC name is 4,6-diphenyl-3-(4-pyrimidin-2-ylpiperazin-1-yl)pyridazine.

Molecular Properties

Compound Name4,6-diphenyl-3-(4-pyrimidin-2-ylpiperazin-1-yl)pyridazine
PubChem CID23628246
Molecular FormulaC24H22N6
Molecular Weight394.48 g/mol
Exact Mass394.19
IUPAC Name4,6-diphenyl-3-(4-pyrimidin-2-ylpiperazin-1-yl)pyridazine
SMILESc1ccc(-c2cc(-c3ccccc3)c(N3CCN(c4ncccn4)CC3)nn2)cc1
InChIInChI=1S/C24H22N6/c1-3-8-19(9-4-1)21-18-22(20-10-5-2-6-11-20)27-28-23(21)29-14-16-30(17-15-29)24-25-12-7-13-26-24/h1-13,18H,14-17H2
InChIKeyYUGRWLHLWREHAP-UHFFFAOYSA-N
XLogP3.93
TPSA58.04 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.48
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4,6-diphenyl-3-(4-pyrimidin-2-ylpiperazin-1-yl)pyridazine?
The IUPAC name of 4,6-diphenyl-3-(4-pyrimidin-2-ylpiperazin-1-yl)pyridazine (CID 23628246) is 4,6-diphenyl-3-(4-pyrimidin-2-ylpiperazin-1-yl)pyridazine.
What is the SMILES notation for 4,6-diphenyl-3-(4-pyrimidin-2-ylpiperazin-1-yl)pyridazine?
The canonical SMILES for 4,6-diphenyl-3-(4-pyrimidin-2-ylpiperazin-1-yl)pyridazine is c1ccc(-c2cc(-c3ccccc3)c(N3CCN(c4ncccn4)CC3)nn2)cc1.
What is the InChIKey of 4,6-diphenyl-3-(4-pyrimidin-2-ylpiperazin-1-yl)pyridazine?
The InChIKey is YUGRWLHLWREHAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N6/c1-3-8-19(9-4-1)21-18-22(20-10-5-2-6-11-20)27-28-23(21)29-14-16-30(17-15-29)24-25-12-7-13-26-24/h1-13,18H,14-17H2.
What are the key properties of 4,6-diphenyl-3-(4-pyrimidin-2-ylpiperazin-1-yl)pyridazine?
4,6-diphenyl-3-(4-pyrimidin-2-ylpiperazin-1-yl)pyridazine has a molecular weight of 394.48 g/mol, XLogP of 3.93, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-diphenyl-3-(4-pyrimidin-2-ylpiperazin-1-yl)pyridazine is sourced from PubChem (CID 23628246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).