6-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]tetrazolo[1,5-b]pyridazine

C10H12F3N7 — CID 17451701

IUPAC6-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]tetrazolo[1,5-b]pyridazine
SMILESFC(F)(F)CN1CCN(c2ccc3nnnn3n2)CC1
InChIInChI=1S/C10H12F3N7/c11-10(12,13)7-18-3-5-19(6-4-18)9-2-1-8-14-16-17-20(8)15-9/h1-2H,3-7H2
InChIKeyZYRPLNBNNCEJAT-UHFFFAOYSA-N
MW287.25 g/mol
LogP0.20
Rot. Bonds2

About 6-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]tetrazolo[1,5-b]pyridazine

6-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]tetrazolo[1,5-b]pyridazine (PubChem CID 17451701) has the molecular formula C10H12F3N7 and a molecular weight of 287.25 g/mol. Its IUPAC name is 6-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]tetrazolo[1,5-b]pyridazine.

Molecular Properties

Compound Name6-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]tetrazolo[1,5-b]pyridazine
PubChem CID17451701
Molecular FormulaC10H12F3N7
Molecular Weight287.25 g/mol
Exact Mass287.11
IUPAC Name6-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]tetrazolo[1,5-b]pyridazine
SMILESFC(F)(F)CN1CCN(c2ccc3nnnn3n2)CC1
InChIInChI=1S/C10H12F3N7/c11-10(12,13)7-18-3-5-19(6-4-18)9-2-1-8-14-16-17-20(8)15-9/h1-2H,3-7H2
InChIKeyZYRPLNBNNCEJAT-UHFFFAOYSA-N
XLogP0.20
TPSA62.45 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.25
LogP ≤ 50.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]tetrazolo[1,5-b]pyridazine?
The IUPAC name of 6-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]tetrazolo[1,5-b]pyridazine (CID 17451701) is 6-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]tetrazolo[1,5-b]pyridazine.
What is the SMILES notation for 6-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]tetrazolo[1,5-b]pyridazine?
The canonical SMILES for 6-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]tetrazolo[1,5-b]pyridazine is FC(F)(F)CN1CCN(c2ccc3nnnn3n2)CC1.
What is the InChIKey of 6-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]tetrazolo[1,5-b]pyridazine?
The InChIKey is ZYRPLNBNNCEJAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F3N7/c11-10(12,13)7-18-3-5-19(6-4-18)9-2-1-8-14-16-17-20(8)15-9/h1-2H,3-7H2.
What are the key properties of 6-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]tetrazolo[1,5-b]pyridazine?
6-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]tetrazolo[1,5-b]pyridazine has a molecular weight of 287.25 g/mol, XLogP of 0.20, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]tetrazolo[1,5-b]pyridazine is sourced from PubChem (CID 17451701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).