6-[4-(1H-pyrazol-5-ylmethyl)piperazin-1-yl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine

C14H15F3N8 — CID 67339120

IUPAC6-[4-(1H-pyrazol-5-ylmethyl)piperazin-1-yl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine
SMILESFC(F)(F)c1nnc2ccc(N3CCN(Cc4ccn[nH]4)CC3)nn12
InChIInChI=1S/C14H15F3N8/c15-14(16,17)13-21-20-11-1-2-12(22-25(11)13)24-7-5-23(6-8-24)9-10-3-4-18-19-10/h1-4H,5-9H2,(H,18,19)
InChIKeyGFAQZCWKSIOHMU-UHFFFAOYSA-N
MW352.32 g/mol
LogP1.19
Rot. Bonds3

About 6-[4-(1H-pyrazol-5-ylmethyl)piperazin-1-yl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine

6-[4-(1H-pyrazol-5-ylmethyl)piperazin-1-yl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine (PubChem CID 67339120) has the molecular formula C14H15F3N8 and a molecular weight of 352.32 g/mol. Its IUPAC name is 6-[4-(1H-pyrazol-5-ylmethyl)piperazin-1-yl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine.

Molecular Properties

Compound Name6-[4-(1H-pyrazol-5-ylmethyl)piperazin-1-yl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine
PubChem CID67339120
Molecular FormulaC14H15F3N8
Molecular Weight352.32 g/mol
Exact Mass352.14
IUPAC Name6-[4-(1H-pyrazol-5-ylmethyl)piperazin-1-yl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine
SMILESFC(F)(F)c1nnc2ccc(N3CCN(Cc4ccn[nH]4)CC3)nn12
InChIInChI=1S/C14H15F3N8/c15-14(16,17)13-21-20-11-1-2-12(22-25(11)13)24-7-5-23(6-8-24)9-10-3-4-18-19-10/h1-4H,5-9H2,(H,18,19)
InChIKeyGFAQZCWKSIOHMU-UHFFFAOYSA-N
XLogP1.19
TPSA78.24 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.32
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-[4-(1H-pyrazol-5-ylmethyl)piperazin-1-yl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine?
The IUPAC name of 6-[4-(1H-pyrazol-5-ylmethyl)piperazin-1-yl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine (CID 67339120) is 6-[4-(1H-pyrazol-5-ylmethyl)piperazin-1-yl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine.
What is the SMILES notation for 6-[4-(1H-pyrazol-5-ylmethyl)piperazin-1-yl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine?
The canonical SMILES for 6-[4-(1H-pyrazol-5-ylmethyl)piperazin-1-yl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine is FC(F)(F)c1nnc2ccc(N3CCN(Cc4ccn[nH]4)CC3)nn12.
What is the InChIKey of 6-[4-(1H-pyrazol-5-ylmethyl)piperazin-1-yl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine?
The InChIKey is GFAQZCWKSIOHMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F3N8/c15-14(16,17)13-21-20-11-1-2-12(22-25(11)13)24-7-5-23(6-8-24)9-10-3-4-18-19-10/h1-4H,5-9H2,(H,18,19).
What are the key properties of 6-[4-(1H-pyrazol-5-ylmethyl)piperazin-1-yl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine?
6-[4-(1H-pyrazol-5-ylmethyl)piperazin-1-yl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine has a molecular weight of 352.32 g/mol, XLogP of 1.19, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(1H-pyrazol-5-ylmethyl)piperazin-1-yl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine is sourced from PubChem (CID 67339120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).