3-(5-methyl-1H-pyrazol-4-yl)-6-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine

C11H12F3N5 — CID 166389581

IUPAC3-(5-methyl-1H-pyrazol-4-yl)-6-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine
SMILESCc1[nH]ncc1-c1nnc2n1CC(C(F)(F)F)CC2
InChIInChI=1S/C11H12F3N5/c1-6-8(4-15-16-6)10-18-17-9-3-2-7(5-19(9)10)11(12,13)14/h4,7H,2-3,5H2,1H3,(H,15,16)
InChIKeyHYNDHHPOFFJTKQ-UHFFFAOYSA-N
MW271.25 g/mol
LogP2.10
Rot. Bonds1

About 3-(5-methyl-1H-pyrazol-4-yl)-6-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine

3-(5-methyl-1H-pyrazol-4-yl)-6-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine (PubChem CID 166389581) has the molecular formula C11H12F3N5 and a molecular weight of 271.25 g/mol. Its IUPAC name is 3-(5-methyl-1H-pyrazol-4-yl)-6-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine.

Molecular Properties

Compound Name3-(5-methyl-1H-pyrazol-4-yl)-6-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine
PubChem CID166389581
Molecular FormulaC11H12F3N5
Molecular Weight271.25 g/mol
Exact Mass271.10
IUPAC Name3-(5-methyl-1H-pyrazol-4-yl)-6-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine
SMILESCc1[nH]ncc1-c1nnc2n1CC(C(F)(F)F)CC2
InChIInChI=1S/C11H12F3N5/c1-6-8(4-15-16-6)10-18-17-9-3-2-7(5-19(9)10)11(12,13)14/h4,7H,2-3,5H2,1H3,(H,15,16)
InChIKeyHYNDHHPOFFJTKQ-UHFFFAOYSA-N
XLogP2.10
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.25
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(5-methyl-1H-pyrazol-4-yl)-6-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine?
The IUPAC name of 3-(5-methyl-1H-pyrazol-4-yl)-6-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine (CID 166389581) is 3-(5-methyl-1H-pyrazol-4-yl)-6-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine.
What is the SMILES notation for 3-(5-methyl-1H-pyrazol-4-yl)-6-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine?
The canonical SMILES for 3-(5-methyl-1H-pyrazol-4-yl)-6-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine is Cc1[nH]ncc1-c1nnc2n1CC(C(F)(F)F)CC2.
What is the InChIKey of 3-(5-methyl-1H-pyrazol-4-yl)-6-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine?
The InChIKey is HYNDHHPOFFJTKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F3N5/c1-6-8(4-15-16-6)10-18-17-9-3-2-7(5-19(9)10)11(12,13)14/h4,7H,2-3,5H2,1H3,(H,15,16).
What are the key properties of 3-(5-methyl-1H-pyrazol-4-yl)-6-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine?
3-(5-methyl-1H-pyrazol-4-yl)-6-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine has a molecular weight of 271.25 g/mol, XLogP of 2.10, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-methyl-1H-pyrazol-4-yl)-6-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine is sourced from PubChem (CID 166389581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).