6-[4-[4-[2-(3,5-dimethylpyrazol-1-yl)ethoxy]phenyl]piperidin-1-yl]-3-(trifluoromethyl)-7,8-dihydro-[1,2,4]triazolo[4,3-b]pyridazine

C24H28F3N7O — CID 46892315

IUPAC6-[4-[4-[2-(3,5-dimethylpyrazol-1-yl)ethoxy]phenyl]piperidin-1-yl]-3-(trifluoromethyl)-7,8-dihydro-[1,2,4]triazolo[4,3-b]pyridazine
SMILESCc1cc(C)n(CCOc2ccc(C3CCN(C4=Nn5c(nnc5C(F)(F)F)CC4)CC3)cc2)n1
InChIInChI=1S/C24H28F3N7O/c1-16-15-17(2)33(30-16)13-14-35-20-5-3-18(4-6-20)19-9-11-32(12-10-19)22-8-7-21-28-29-23(24(25,26)27)34(21)31-22/h3-6,15,19H,7-14H2,1-2H3
InChIKeyGRTWMKIZVZVOKQ-UHFFFAOYSA-N
MW487.53 g/mol
LogP4.18
Rot. Bonds5

About 6-[4-[4-[2-(3,5-dimethylpyrazol-1-yl)ethoxy]phenyl]piperidin-1-yl]-3-(trifluoromethyl)-7,8-dihydro-[1,2,4]triazolo[4,3-b]pyridazine

6-[4-[4-[2-(3,5-dimethylpyrazol-1-yl)ethoxy]phenyl]piperidin-1-yl]-3-(trifluoromethyl)-7,8-dihydro-[1,2,4]triazolo[4,3-b]pyridazine (PubChem CID 46892315) has the molecular formula C24H28F3N7O and a molecular weight of 487.53 g/mol. Its IUPAC name is 6-[4-[4-[2-(3,5-dimethylpyrazol-1-yl)ethoxy]phenyl]piperidin-1-yl]-3-(trifluoromethyl)-7,8-dihydro-[1,2,4]triazolo[4,3-b]pyridazine.

Molecular Properties

Compound Name6-[4-[4-[2-(3,5-dimethylpyrazol-1-yl)ethoxy]phenyl]piperidin-1-yl]-3-(trifluoromethyl)-7,8-dihydro-[1,2,4]triazolo[4,3-b]pyridazine
PubChem CID46892315
Molecular FormulaC24H28F3N7O
Molecular Weight487.53 g/mol
Exact Mass487.23
IUPAC Name6-[4-[4-[2-(3,5-dimethylpyrazol-1-yl)ethoxy]phenyl]piperidin-1-yl]-3-(trifluoromethyl)-7,8-dihydro-[1,2,4]triazolo[4,3-b]pyridazine
SMILESCc1cc(C)n(CCOc2ccc(C3CCN(C4=Nn5c(nnc5C(F)(F)F)CC4)CC3)cc2)n1
InChIInChI=1S/C24H28F3N7O/c1-16-15-17(2)33(30-16)13-14-35-20-5-3-18(4-6-20)19-9-11-32(12-10-19)22-8-7-21-28-29-23(24(25,26)27)34(21)31-22/h3-6,15,19H,7-14H2,1-2H3
InChIKeyGRTWMKIZVZVOKQ-UHFFFAOYSA-N
XLogP4.18
TPSA73.36 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.53
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 6-[4-[4-[2-(3,5-dimethylpyrazol-1-yl)ethoxy]phenyl]piperidin-1-yl]-3-(trifluoromethyl)-7,8-dihydro-[1,2,4]triazolo[4,3-b]pyridazine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-[4-[4-[2-(3,5-dimethylpyrazol-1-yl)ethoxy]phenyl]piperidin-1-yl]-3-(trifluoromethyl)-7,8-dihydro-[1,2,4]triazolo[4,3-b]pyridazine?
The IUPAC name of 6-[4-[4-[2-(3,5-dimethylpyrazol-1-yl)ethoxy]phenyl]piperidin-1-yl]-3-(trifluoromethyl)-7,8-dihydro-[1,2,4]triazolo[4,3-b]pyridazine (CID 46892315) is 6-[4-[4-[2-(3,5-dimethylpyrazol-1-yl)ethoxy]phenyl]piperidin-1-yl]-3-(trifluoromethyl)-7,8-dihydro-[1,2,4]triazolo[4,3-b]pyridazine.
What is the SMILES notation for 6-[4-[4-[2-(3,5-dimethylpyrazol-1-yl)ethoxy]phenyl]piperidin-1-yl]-3-(trifluoromethyl)-7,8-dihydro-[1,2,4]triazolo[4,3-b]pyridazine?
The canonical SMILES for 6-[4-[4-[2-(3,5-dimethylpyrazol-1-yl)ethoxy]phenyl]piperidin-1-yl]-3-(trifluoromethyl)-7,8-dihydro-[1,2,4]triazolo[4,3-b]pyridazine is Cc1cc(C)n(CCOc2ccc(C3CCN(C4=Nn5c(nnc5C(F)(F)F)CC4)CC3)cc2)n1.
What is the InChIKey of 6-[4-[4-[2-(3,5-dimethylpyrazol-1-yl)ethoxy]phenyl]piperidin-1-yl]-3-(trifluoromethyl)-7,8-dihydro-[1,2,4]triazolo[4,3-b]pyridazine?
The InChIKey is GRTWMKIZVZVOKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28F3N7O/c1-16-15-17(2)33(30-16)13-14-35-20-5-3-18(4-6-20)19-9-11-32(12-10-19)22-8-7-21-28-29-23(24(25,26)27)34(21)31-22/h3-6,15,19H,7-14H2,1-2H3.
What are the key properties of 6-[4-[4-[2-(3,5-dimethylpyrazol-1-yl)ethoxy]phenyl]piperidin-1-yl]-3-(trifluoromethyl)-7,8-dihydro-[1,2,4]triazolo[4,3-b]pyridazine?
6-[4-[4-[2-(3,5-dimethylpyrazol-1-yl)ethoxy]phenyl]piperidin-1-yl]-3-(trifluoromethyl)-7,8-dihydro-[1,2,4]triazolo[4,3-b]pyridazine has a molecular weight of 487.53 g/mol, XLogP of 4.18, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-[4-[2-(3,5-dimethylpyrazol-1-yl)ethoxy]phenyl]piperidin-1-yl]-3-(trifluoromethyl)-7,8-dihydro-[1,2,4]triazolo[4,3-b]pyridazine is sourced from PubChem (CID 46892315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).