1-[[3-(trifluoromethyl)phenyl]methyl]triazolo[4,5-c]pyridine

C13H9F3N4 — CID 117159469

IUPAC1-[[3-(trifluoromethyl)phenyl]methyl]triazolo[4,5-c]pyridine
SMILESFC(F)(F)c1cccc(Cn2nnc3cnccc32)c1
InChIInChI=1S/C13H9F3N4/c14-13(15,16)10-3-1-2-9(6-10)8-20-12-4-5-17-7-11(12)18-19-20/h1-7H,8H2
InChIKeyOTUVWURHTVEDMQ-UHFFFAOYSA-N
MW278.24 g/mol
LogP2.89
Rot. Bonds2

About 1-[[3-(trifluoromethyl)phenyl]methyl]triazolo[4,5-c]pyridine

1-[[3-(trifluoromethyl)phenyl]methyl]triazolo[4,5-c]pyridine (PubChem CID 117159469) has the molecular formula C13H9F3N4 and a molecular weight of 278.24 g/mol. Its IUPAC name is 1-[[3-(trifluoromethyl)phenyl]methyl]triazolo[4,5-c]pyridine.

Molecular Properties

Compound Name1-[[3-(trifluoromethyl)phenyl]methyl]triazolo[4,5-c]pyridine
PubChem CID117159469
Molecular FormulaC13H9F3N4
Molecular Weight278.24 g/mol
Exact Mass278.08
IUPAC Name1-[[3-(trifluoromethyl)phenyl]methyl]triazolo[4,5-c]pyridine
SMILESFC(F)(F)c1cccc(Cn2nnc3cnccc32)c1
InChIInChI=1S/C13H9F3N4/c14-13(15,16)10-3-1-2-9(6-10)8-20-12-4-5-17-7-11(12)18-19-20/h1-7H,8H2
InChIKeyOTUVWURHTVEDMQ-UHFFFAOYSA-N
XLogP2.89
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.24
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[[2-(trifluoromethyl)phenyl]methyl]triazolo[4,5-c]pyridine
CID 117159476
3,5-dibromo-1-[[3-(trifluoromethyl)phenyl]methyl]pyrazole
CID 114692714
N-methyl-1-[1-[[3-(trifluoromethyl)phenyl]methyl]tetrazol-5-yl]methanamine
CID 55109247
1-(pyridin-3-ylmethyl)-6-[3-(trifluoromethyl)phenyl]pyrazolo[4,5-b]pyridine
CID 155389439
5-pyridin-2-yl-1-[[3-(trifluoromethyl)phenyl]methyl]triazole-4-carboxylic acid
CID 53366342
N-methyl-1-[1-[[3-(trifluoromethyl)phenyl]methyl]tetrazol-5-yl]ethanamine
CID 103085277
1-[[3-(trifluoromethyl)phenyl]methyl]-1,2,4-triazole
CID 23274336
2-[[3-(trifluoromethyl)phenyl]methyl]-3,4-dihydro-1H-pyrido[4,3-b][1,6]naphthyridine
CID 24731662
2-[[3-(trifluoromethyl)phenyl]methyl]pyrimidine
CID 121010377
2-[1-[[3-(trifluoromethyl)phenyl]methyl]tetrazol-5-yl]sulfanylacetic acid
CID 29070293
5-chloro-4-methoxy-1-[[3-(trifluoromethyl)phenyl]methyl]pyrazole
CID 117232554
(1R)-1-[3-[[3-(trifluoromethyl)phenyl]methyl]imidazol-4-yl]ethanamine
CID 104941659

Frequently Asked Questions

What is the IUPAC name of 1-[[3-(trifluoromethyl)phenyl]methyl]triazolo[4,5-c]pyridine?
The IUPAC name of 1-[[3-(trifluoromethyl)phenyl]methyl]triazolo[4,5-c]pyridine (CID 117159469) is 1-[[3-(trifluoromethyl)phenyl]methyl]triazolo[4,5-c]pyridine.
What is the SMILES notation for 1-[[3-(trifluoromethyl)phenyl]methyl]triazolo[4,5-c]pyridine?
The canonical SMILES for 1-[[3-(trifluoromethyl)phenyl]methyl]triazolo[4,5-c]pyridine is FC(F)(F)c1cccc(Cn2nnc3cnccc32)c1.
What is the InChIKey of 1-[[3-(trifluoromethyl)phenyl]methyl]triazolo[4,5-c]pyridine?
The InChIKey is OTUVWURHTVEDMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9F3N4/c14-13(15,16)10-3-1-2-9(6-10)8-20-12-4-5-17-7-11(12)18-19-20/h1-7H,8H2.
What are the key properties of 1-[[3-(trifluoromethyl)phenyl]methyl]triazolo[4,5-c]pyridine?
1-[[3-(trifluoromethyl)phenyl]methyl]triazolo[4,5-c]pyridine has a molecular weight of 278.24 g/mol, XLogP of 2.89, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[3-(trifluoromethyl)phenyl]methyl]triazolo[4,5-c]pyridine is sourced from PubChem (CID 117159469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).