6-[3-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine

C14H15F3N8 — CID 43063323

IUPAC6-[3-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine
SMILESCn1cnnc1C1CCCN(c2ccc3nnc(C(F)(F)F)n3n2)C1
InChIInChI=1S/C14H15F3N8/c1-23-8-18-20-12(23)9-3-2-6-24(7-9)11-5-4-10-19-21-13(14(15,16)17)25(10)22-11/h4-5,8-9H,2-3,6-7H2,1H3
InChIKeyMYIBWJRSQRNTNN-UHFFFAOYSA-N
MW352.32 g/mol
LogP1.66
Rot. Bonds2

About 6-[3-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine

6-[3-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine (PubChem CID 43063323) has the molecular formula C14H15F3N8 and a molecular weight of 352.32 g/mol. Its IUPAC name is 6-[3-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine.

Molecular Properties

Compound Name6-[3-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine
PubChem CID43063323
Molecular FormulaC14H15F3N8
Molecular Weight352.32 g/mol
Exact Mass352.14
IUPAC Name6-[3-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine
SMILESCn1cnnc1C1CCCN(c2ccc3nnc(C(F)(F)F)n3n2)C1
InChIInChI=1S/C14H15F3N8/c1-23-8-18-20-12(23)9-3-2-6-24(7-9)11-5-4-10-19-21-13(14(15,16)17)25(10)22-11/h4-5,8-9H,2-3,6-7H2,1H3
InChIKeyMYIBWJRSQRNTNN-UHFFFAOYSA-N
XLogP1.66
TPSA77.03 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.32
LogP ≤ 51.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 6-[3-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine?
The IUPAC name of 6-[3-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine (CID 43063323) is 6-[3-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine.
What is the SMILES notation for 6-[3-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine?
The canonical SMILES for 6-[3-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine is Cn1cnnc1C1CCCN(c2ccc3nnc(C(F)(F)F)n3n2)C1.
What is the InChIKey of 6-[3-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine?
The InChIKey is MYIBWJRSQRNTNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F3N8/c1-23-8-18-20-12(23)9-3-2-6-24(7-9)11-5-4-10-19-21-13(14(15,16)17)25(10)22-11/h4-5,8-9H,2-3,6-7H2,1H3.
What are the key properties of 6-[3-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine?
6-[3-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine has a molecular weight of 352.32 g/mol, XLogP of 1.66, 2 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine is sourced from PubChem (CID 43063323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).