3-(2,2,2-trifluoroethyl)-4,5,6,7-tetrahydrotriazolo[4,5-c]pyridine

C7H9F3N4 — CID 126984977

IUPAC3-(2,2,2-trifluoroethyl)-4,5,6,7-tetrahydrotriazolo[4,5-c]pyridine
SMILESFC(F)(F)Cn1nnc2c1CNCC2
InChIInChI=1S/C7H9F3N4/c8-7(9,10)4-14-6-3-11-2-1-5(6)12-13-14/h11H,1-4H2
InChIKeyHKXNZMJOFLXNMV-UHFFFAOYSA-N
MW206.17 g/mol
LogP0.49
Rot. Bonds1

About 3-(2,2,2-trifluoroethyl)-4,5,6,7-tetrahydrotriazolo[4,5-c]pyridine

3-(2,2,2-trifluoroethyl)-4,5,6,7-tetrahydrotriazolo[4,5-c]pyridine (PubChem CID 126984977) has the molecular formula C7H9F3N4 and a molecular weight of 206.17 g/mol. Its IUPAC name is 3-(2,2,2-trifluoroethyl)-4,5,6,7-tetrahydrotriazolo[4,5-c]pyridine.

Molecular Properties

Compound Name3-(2,2,2-trifluoroethyl)-4,5,6,7-tetrahydrotriazolo[4,5-c]pyridine
PubChem CID126984977
Molecular FormulaC7H9F3N4
Molecular Weight206.17 g/mol
Exact Mass206.08
IUPAC Name3-(2,2,2-trifluoroethyl)-4,5,6,7-tetrahydrotriazolo[4,5-c]pyridine
SMILESFC(F)(F)Cn1nnc2c1CNCC2
InChIInChI=1S/C7H9F3N4/c8-7(9,10)4-14-6-3-11-2-1-5(6)12-13-14/h11H,1-4H2
InChIKeyHKXNZMJOFLXNMV-UHFFFAOYSA-N
XLogP0.49
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.17
LogP ≤ 50.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(2,2,2-trifluoroethyl)-4,5,6,7-tetrahydrotriazolo[4,5-c]pyridine?
The IUPAC name of 3-(2,2,2-trifluoroethyl)-4,5,6,7-tetrahydrotriazolo[4,5-c]pyridine (CID 126984977) is 3-(2,2,2-trifluoroethyl)-4,5,6,7-tetrahydrotriazolo[4,5-c]pyridine.
What is the SMILES notation for 3-(2,2,2-trifluoroethyl)-4,5,6,7-tetrahydrotriazolo[4,5-c]pyridine?
The canonical SMILES for 3-(2,2,2-trifluoroethyl)-4,5,6,7-tetrahydrotriazolo[4,5-c]pyridine is FC(F)(F)Cn1nnc2c1CNCC2.
What is the InChIKey of 3-(2,2,2-trifluoroethyl)-4,5,6,7-tetrahydrotriazolo[4,5-c]pyridine?
The InChIKey is HKXNZMJOFLXNMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9F3N4/c8-7(9,10)4-14-6-3-11-2-1-5(6)12-13-14/h11H,1-4H2.
What are the key properties of 3-(2,2,2-trifluoroethyl)-4,5,6,7-tetrahydrotriazolo[4,5-c]pyridine?
3-(2,2,2-trifluoroethyl)-4,5,6,7-tetrahydrotriazolo[4,5-c]pyridine has a molecular weight of 206.17 g/mol, XLogP of 0.49, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,2,2-trifluoroethyl)-4,5,6,7-tetrahydrotriazolo[4,5-c]pyridine is sourced from PubChem (CID 126984977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).