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

C17H19FN6 — CID 29131696

IUPAC3-ethyl-6-[4-(4-fluorophenyl)piperazin-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine
SMILESCCc1nnc2ccc(N3CCN(c4ccc(F)cc4)CC3)nn12
InChIInChI=1S/C17H19FN6/c1-2-15-19-20-16-7-8-17(21-24(15)16)23-11-9-22(10-12-23)14-5-3-13(18)4-6-14/h3-8H,2,9-12H2,1H3
InChIKeyPOBUFGZBNDYTEW-UHFFFAOYSA-N
MW326.38 g/mol
LogP2.15
Rot. Bonds3

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

3-ethyl-6-[4-(4-fluorophenyl)piperazin-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine (PubChem CID 29131696) has the molecular formula C17H19FN6 and a molecular weight of 326.38 g/mol. Its IUPAC name is 3-ethyl-6-[4-(4-fluorophenyl)piperazin-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine.

Molecular Properties

Compound Name3-ethyl-6-[4-(4-fluorophenyl)piperazin-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine
PubChem CID29131696
Molecular FormulaC17H19FN6
Molecular Weight326.38 g/mol
Exact Mass326.17
IUPAC Name3-ethyl-6-[4-(4-fluorophenyl)piperazin-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine
SMILESCCc1nnc2ccc(N3CCN(c4ccc(F)cc4)CC3)nn12
InChIInChI=1S/C17H19FN6/c1-2-15-19-20-16-7-8-17(21-24(15)16)23-11-9-22(10-12-23)14-5-3-13(18)4-6-14/h3-8H,2,9-12H2,1H3
InChIKeyPOBUFGZBNDYTEW-UHFFFAOYSA-N
XLogP2.15
TPSA49.56 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.38
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-6-[4-(4-fluorophenyl)piperazin-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine?
The IUPAC name of 3-ethyl-6-[4-(4-fluorophenyl)piperazin-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine (CID 29131696) is 3-ethyl-6-[4-(4-fluorophenyl)piperazin-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine.
What is the SMILES notation for 3-ethyl-6-[4-(4-fluorophenyl)piperazin-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine?
The canonical SMILES for 3-ethyl-6-[4-(4-fluorophenyl)piperazin-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine is CCc1nnc2ccc(N3CCN(c4ccc(F)cc4)CC3)nn12.
What is the InChIKey of 3-ethyl-6-[4-(4-fluorophenyl)piperazin-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine?
The InChIKey is POBUFGZBNDYTEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FN6/c1-2-15-19-20-16-7-8-17(21-24(15)16)23-11-9-22(10-12-23)14-5-3-13(18)4-6-14/h3-8H,2,9-12H2,1H3.
What are the key properties of 3-ethyl-6-[4-(4-fluorophenyl)piperazin-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine?
3-ethyl-6-[4-(4-fluorophenyl)piperazin-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine has a molecular weight of 326.38 g/mol, XLogP of 2.15, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-6-[4-(4-fluorophenyl)piperazin-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine is sourced from PubChem (CID 29131696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).