3-phenyl-4-phenylsulfanyl-6-(4-pyrimidin-2-ylpiperazin-1-yl)pyridazine

C24H22N6S — CID 59867546

IUPAC3-phenyl-4-phenylsulfanyl-6-(4-pyrimidin-2-ylpiperazin-1-yl)pyridazine
SMILESc1ccc(Sc2cc(N3CCN(c4ncccn4)CC3)nnc2-c2ccccc2)cc1
InChIInChI=1S/C24H22N6S/c1-3-8-19(9-4-1)23-21(31-20-10-5-2-6-11-20)18-22(27-28-23)29-14-16-30(17-15-29)24-25-12-7-13-26-24/h1-13,18H,14-17H2
InChIKeyDSSMSCMFNJLRPK-UHFFFAOYSA-N
MW426.55 g/mol
LogP4.41
Rot. Bonds5

About 3-phenyl-4-phenylsulfanyl-6-(4-pyrimidin-2-ylpiperazin-1-yl)pyridazine

3-phenyl-4-phenylsulfanyl-6-(4-pyrimidin-2-ylpiperazin-1-yl)pyridazine (PubChem CID 59867546) has the molecular formula C24H22N6S and a molecular weight of 426.55 g/mol. Its IUPAC name is 3-phenyl-4-phenylsulfanyl-6-(4-pyrimidin-2-ylpiperazin-1-yl)pyridazine.

Molecular Properties

Compound Name3-phenyl-4-phenylsulfanyl-6-(4-pyrimidin-2-ylpiperazin-1-yl)pyridazine
PubChem CID59867546
Molecular FormulaC24H22N6S
Molecular Weight426.55 g/mol
Exact Mass426.16
IUPAC Name3-phenyl-4-phenylsulfanyl-6-(4-pyrimidin-2-ylpiperazin-1-yl)pyridazine
SMILESc1ccc(Sc2cc(N3CCN(c4ncccn4)CC3)nnc2-c2ccccc2)cc1
InChIInChI=1S/C24H22N6S/c1-3-8-19(9-4-1)23-21(31-20-10-5-2-6-11-20)18-22(27-28-23)29-14-16-30(17-15-29)24-25-12-7-13-26-24/h1-13,18H,14-17H2
InChIKeyDSSMSCMFNJLRPK-UHFFFAOYSA-N
XLogP4.41
TPSA58.04 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.55
LogP ≤ 54.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-phenyl-4-phenylsulfanyl-6-(4-pyrimidin-2-ylpiperazin-1-yl)pyridazine?
The IUPAC name of 3-phenyl-4-phenylsulfanyl-6-(4-pyrimidin-2-ylpiperazin-1-yl)pyridazine (CID 59867546) is 3-phenyl-4-phenylsulfanyl-6-(4-pyrimidin-2-ylpiperazin-1-yl)pyridazine.
What is the SMILES notation for 3-phenyl-4-phenylsulfanyl-6-(4-pyrimidin-2-ylpiperazin-1-yl)pyridazine?
The canonical SMILES for 3-phenyl-4-phenylsulfanyl-6-(4-pyrimidin-2-ylpiperazin-1-yl)pyridazine is c1ccc(Sc2cc(N3CCN(c4ncccn4)CC3)nnc2-c2ccccc2)cc1.
What is the InChIKey of 3-phenyl-4-phenylsulfanyl-6-(4-pyrimidin-2-ylpiperazin-1-yl)pyridazine?
The InChIKey is DSSMSCMFNJLRPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N6S/c1-3-8-19(9-4-1)23-21(31-20-10-5-2-6-11-20)18-22(27-28-23)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 3-phenyl-4-phenylsulfanyl-6-(4-pyrimidin-2-ylpiperazin-1-yl)pyridazine?
3-phenyl-4-phenylsulfanyl-6-(4-pyrimidin-2-ylpiperazin-1-yl)pyridazine has a molecular weight of 426.55 g/mol, XLogP of 4.41, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-4-phenylsulfanyl-6-(4-pyrimidin-2-ylpiperazin-1-yl)pyridazine is sourced from PubChem (CID 59867546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).