3-benzyl-4,5-dimethyl-6-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]pyridazine

C23H24F3N5 — CID 59191563

IUPAC3-benzyl-4,5-dimethyl-6-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]pyridazine
SMILESCc1c(Cc2ccccc2)nnc(N2CCN(c3ccc(C(F)(F)F)cn3)CC2)c1C
InChIInChI=1S/C23H24F3N5/c1-16-17(2)22(29-28-20(16)14-18-6-4-3-5-7-18)31-12-10-30(11-13-31)21-9-8-19(15-27-21)23(24,25)26/h3-9,15H,10-14H2,1-2H3
InChIKeyWYRZRSYFBUYKDY-UHFFFAOYSA-N
MW427.47 g/mol
LogP4.42
Rot. Bonds4

About 3-benzyl-4,5-dimethyl-6-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]pyridazine

3-benzyl-4,5-dimethyl-6-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]pyridazine (PubChem CID 59191563) has the molecular formula C23H24F3N5 and a molecular weight of 427.47 g/mol. Its IUPAC name is 3-benzyl-4,5-dimethyl-6-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]pyridazine.

Molecular Properties

Compound Name3-benzyl-4,5-dimethyl-6-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]pyridazine
PubChem CID59191563
Molecular FormulaC23H24F3N5
Molecular Weight427.47 g/mol
Exact Mass427.20
IUPAC Name3-benzyl-4,5-dimethyl-6-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]pyridazine
SMILESCc1c(Cc2ccccc2)nnc(N2CCN(c3ccc(C(F)(F)F)cn3)CC2)c1C
InChIInChI=1S/C23H24F3N5/c1-16-17(2)22(29-28-20(16)14-18-6-4-3-5-7-18)31-12-10-30(11-13-31)21-9-8-19(15-27-21)23(24,25)26/h3-9,15H,10-14H2,1-2H3
InChIKeyWYRZRSYFBUYKDY-UHFFFAOYSA-N
XLogP4.42
TPSA45.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.47
LogP ≤ 54.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-benzyl-4,5-dimethyl-6-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]pyridazine?
The IUPAC name of 3-benzyl-4,5-dimethyl-6-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]pyridazine (CID 59191563) is 3-benzyl-4,5-dimethyl-6-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]pyridazine.
What is the SMILES notation for 3-benzyl-4,5-dimethyl-6-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]pyridazine?
The canonical SMILES for 3-benzyl-4,5-dimethyl-6-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]pyridazine is Cc1c(Cc2ccccc2)nnc(N2CCN(c3ccc(C(F)(F)F)cn3)CC2)c1C.
What is the InChIKey of 3-benzyl-4,5-dimethyl-6-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]pyridazine?
The InChIKey is WYRZRSYFBUYKDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24F3N5/c1-16-17(2)22(29-28-20(16)14-18-6-4-3-5-7-18)31-12-10-30(11-13-31)21-9-8-19(15-27-21)23(24,25)26/h3-9,15H,10-14H2,1-2H3.
What are the key properties of 3-benzyl-4,5-dimethyl-6-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]pyridazine?
3-benzyl-4,5-dimethyl-6-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]pyridazine has a molecular weight of 427.47 g/mol, XLogP of 4.42, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-4,5-dimethyl-6-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]pyridazine is sourced from PubChem (CID 59191563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).