6-ethenyl-3-(2,2,2-trifluoroethyl)triazolo[4,5-c]pyridine

C9H7F3N4 — CID 165403000

IUPAC6-ethenyl-3-(2,2,2-trifluoroethyl)triazolo[4,5-c]pyridine
SMILESC=Cc1cc2nnn(CC(F)(F)F)c2cn1
InChIInChI=1S/C9H7F3N4/c1-2-6-3-7-8(4-13-6)16(15-14-7)5-9(10,11)12/h2-4H,1,5H2
InChIKeyJQCVHIGGZQCEPA-UHFFFAOYSA-N
MW228.18 g/mol
LogP2.03
Rot. Bonds2

About 6-ethenyl-3-(2,2,2-trifluoroethyl)triazolo[4,5-c]pyridine

6-ethenyl-3-(2,2,2-trifluoroethyl)triazolo[4,5-c]pyridine (PubChem CID 165403000) has the molecular formula C9H7F3N4 and a molecular weight of 228.18 g/mol. Its IUPAC name is 6-ethenyl-3-(2,2,2-trifluoroethyl)triazolo[4,5-c]pyridine.

Molecular Properties

Compound Name6-ethenyl-3-(2,2,2-trifluoroethyl)triazolo[4,5-c]pyridine
PubChem CID165403000
Molecular FormulaC9H7F3N4
Molecular Weight228.18 g/mol
Exact Mass228.06
IUPAC Name6-ethenyl-3-(2,2,2-trifluoroethyl)triazolo[4,5-c]pyridine
SMILESC=Cc1cc2nnn(CC(F)(F)F)c2cn1
InChIInChI=1S/C9H7F3N4/c1-2-6-3-7-8(4-13-6)16(15-14-7)5-9(10,11)12/h2-4H,1,5H2
InChIKeyJQCVHIGGZQCEPA-UHFFFAOYSA-N
XLogP2.03
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.18
LogP ≤ 52.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-ethenyl-3-(2,2,2-trifluoroethyl)triazolo[4,5-c]pyridine?
The IUPAC name of 6-ethenyl-3-(2,2,2-trifluoroethyl)triazolo[4,5-c]pyridine (CID 165403000) is 6-ethenyl-3-(2,2,2-trifluoroethyl)triazolo[4,5-c]pyridine.
What is the SMILES notation for 6-ethenyl-3-(2,2,2-trifluoroethyl)triazolo[4,5-c]pyridine?
The canonical SMILES for 6-ethenyl-3-(2,2,2-trifluoroethyl)triazolo[4,5-c]pyridine is C=Cc1cc2nnn(CC(F)(F)F)c2cn1.
What is the InChIKey of 6-ethenyl-3-(2,2,2-trifluoroethyl)triazolo[4,5-c]pyridine?
The InChIKey is JQCVHIGGZQCEPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7F3N4/c1-2-6-3-7-8(4-13-6)16(15-14-7)5-9(10,11)12/h2-4H,1,5H2.
What are the key properties of 6-ethenyl-3-(2,2,2-trifluoroethyl)triazolo[4,5-c]pyridine?
6-ethenyl-3-(2,2,2-trifluoroethyl)triazolo[4,5-c]pyridine has a molecular weight of 228.18 g/mol, XLogP of 2.03, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethenyl-3-(2,2,2-trifluoroethyl)triazolo[4,5-c]pyridine is sourced from PubChem (CID 165403000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).