3-cyclopropyl-6-[4-[1-(2,4-difluorophenyl)ethyl]piperazin-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine

C20H22F2N6 — CID 133294652

IUPAC3-cyclopropyl-6-[4-[1-(2,4-difluorophenyl)ethyl]piperazin-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine
SMILESCC(c1ccc(F)cc1F)N1CCN(c2ccc3nnc(C4CC4)n3n2)CC1
InChIInChI=1S/C20H22F2N6/c1-13(16-5-4-15(21)12-17(16)22)26-8-10-27(11-9-26)19-7-6-18-23-24-20(14-2-3-14)28(18)25-19/h4-7,12-14H,2-3,8-11H2,1H3
InChIKeyAAVWROZVPTXYAX-UHFFFAOYSA-N
MW384.43 g/mol
LogP3.16
Rot. Bonds4

About 3-cyclopropyl-6-[4-[1-(2,4-difluorophenyl)ethyl]piperazin-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine

3-cyclopropyl-6-[4-[1-(2,4-difluorophenyl)ethyl]piperazin-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine (PubChem CID 133294652) has the molecular formula C20H22F2N6 and a molecular weight of 384.43 g/mol. Its IUPAC name is 3-cyclopropyl-6-[4-[1-(2,4-difluorophenyl)ethyl]piperazin-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine.

Molecular Properties

Compound Name3-cyclopropyl-6-[4-[1-(2,4-difluorophenyl)ethyl]piperazin-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine
PubChem CID133294652
Molecular FormulaC20H22F2N6
Molecular Weight384.43 g/mol
Exact Mass384.19
IUPAC Name3-cyclopropyl-6-[4-[1-(2,4-difluorophenyl)ethyl]piperazin-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine
SMILESCC(c1ccc(F)cc1F)N1CCN(c2ccc3nnc(C4CC4)n3n2)CC1
InChIInChI=1S/C20H22F2N6/c1-13(16-5-4-15(21)12-17(16)22)26-8-10-27(11-9-26)19-7-6-18-23-24-20(14-2-3-14)28(18)25-19/h4-7,12-14H,2-3,8-11H2,1H3
InChIKeyAAVWROZVPTXYAX-UHFFFAOYSA-N
XLogP3.16
TPSA49.56 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.43
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-6-[4-[1-(2,4-difluorophenyl)ethyl]piperazin-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine?
The IUPAC name of 3-cyclopropyl-6-[4-[1-(2,4-difluorophenyl)ethyl]piperazin-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine (CID 133294652) is 3-cyclopropyl-6-[4-[1-(2,4-difluorophenyl)ethyl]piperazin-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine.
What is the SMILES notation for 3-cyclopropyl-6-[4-[1-(2,4-difluorophenyl)ethyl]piperazin-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine?
The canonical SMILES for 3-cyclopropyl-6-[4-[1-(2,4-difluorophenyl)ethyl]piperazin-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine is CC(c1ccc(F)cc1F)N1CCN(c2ccc3nnc(C4CC4)n3n2)CC1.
What is the InChIKey of 3-cyclopropyl-6-[4-[1-(2,4-difluorophenyl)ethyl]piperazin-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine?
The InChIKey is AAVWROZVPTXYAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22F2N6/c1-13(16-5-4-15(21)12-17(16)22)26-8-10-27(11-9-26)19-7-6-18-23-24-20(14-2-3-14)28(18)25-19/h4-7,12-14H,2-3,8-11H2,1H3.
What are the key properties of 3-cyclopropyl-6-[4-[1-(2,4-difluorophenyl)ethyl]piperazin-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine?
3-cyclopropyl-6-[4-[1-(2,4-difluorophenyl)ethyl]piperazin-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine has a molecular weight of 384.43 g/mol, XLogP of 3.16, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-6-[4-[1-(2,4-difluorophenyl)ethyl]piperazin-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine is sourced from PubChem (CID 133294652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).