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

C25H34F3N7O — CID 46892436

IUPAC6-[4-[4-[2-(4-ethylpiperazin-1-yl)ethoxy]phenyl]piperidin-1-yl]-3-(trifluoromethyl)-7,8-dihydro-[1,2,4]triazolo[4,3-b]pyridazine
SMILESCCN1CCN(CCOc2ccc(C3CCN(C4=Nn5c(nnc5C(F)(F)F)CC4)CC3)cc2)CC1
InChIInChI=1S/C25H34F3N7O/c1-2-32-13-15-33(16-14-32)17-18-36-21-5-3-19(4-6-21)20-9-11-34(12-10-20)23-8-7-22-29-30-24(25(26,27)28)35(22)31-23/h3-6,20H,2,7-18H2,1H3
InChIKeyRSRCTPAPYMFJND-UHFFFAOYSA-N
MW505.59 g/mol
LogP3.30
Rot. Bonds6

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

6-[4-[4-[2-(4-ethylpiperazin-1-yl)ethoxy]phenyl]piperidin-1-yl]-3-(trifluoromethyl)-7,8-dihydro-[1,2,4]triazolo[4,3-b]pyridazine (PubChem CID 46892436) has the molecular formula C25H34F3N7O and a molecular weight of 505.59 g/mol. Its IUPAC name is 6-[4-[4-[2-(4-ethylpiperazin-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-(4-ethylpiperazin-1-yl)ethoxy]phenyl]piperidin-1-yl]-3-(trifluoromethyl)-7,8-dihydro-[1,2,4]triazolo[4,3-b]pyridazine
PubChem CID46892436
Molecular FormulaC25H34F3N7O
Molecular Weight505.59 g/mol
Exact Mass505.28
IUPAC Name6-[4-[4-[2-(4-ethylpiperazin-1-yl)ethoxy]phenyl]piperidin-1-yl]-3-(trifluoromethyl)-7,8-dihydro-[1,2,4]triazolo[4,3-b]pyridazine
SMILESCCN1CCN(CCOc2ccc(C3CCN(C4=Nn5c(nnc5C(F)(F)F)CC4)CC3)cc2)CC1
InChIInChI=1S/C25H34F3N7O/c1-2-32-13-15-33(16-14-32)17-18-36-21-5-3-19(4-6-21)20-9-11-34(12-10-20)23-8-7-22-29-30-24(25(26,27)28)35(22)31-23/h3-6,20H,2,7-18H2,1H3
InChIKeyRSRCTPAPYMFJND-UHFFFAOYSA-N
XLogP3.30
TPSA62.02 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500505.59
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-[4-[4-[2-(4-ethylpiperazin-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-(4-ethylpiperazin-1-yl)ethoxy]phenyl]piperidin-1-yl]-3-(trifluoromethyl)-7,8-dihydro-[1,2,4]triazolo[4,3-b]pyridazine (CID 46892436) is 6-[4-[4-[2-(4-ethylpiperazin-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-(4-ethylpiperazin-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-(4-ethylpiperazin-1-yl)ethoxy]phenyl]piperidin-1-yl]-3-(trifluoromethyl)-7,8-dihydro-[1,2,4]triazolo[4,3-b]pyridazine is CCN1CCN(CCOc2ccc(C3CCN(C4=Nn5c(nnc5C(F)(F)F)CC4)CC3)cc2)CC1.
What is the InChIKey of 6-[4-[4-[2-(4-ethylpiperazin-1-yl)ethoxy]phenyl]piperidin-1-yl]-3-(trifluoromethyl)-7,8-dihydro-[1,2,4]triazolo[4,3-b]pyridazine?
The InChIKey is RSRCTPAPYMFJND-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H34F3N7O/c1-2-32-13-15-33(16-14-32)17-18-36-21-5-3-19(4-6-21)20-9-11-34(12-10-20)23-8-7-22-29-30-24(25(26,27)28)35(22)31-23/h3-6,20H,2,7-18H2,1H3.
What are the key properties of 6-[4-[4-[2-(4-ethylpiperazin-1-yl)ethoxy]phenyl]piperidin-1-yl]-3-(trifluoromethyl)-7,8-dihydro-[1,2,4]triazolo[4,3-b]pyridazine?
6-[4-[4-[2-(4-ethylpiperazin-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 505.59 g/mol, XLogP of 3.30, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-[4-[2-(4-ethylpiperazin-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 46892436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).