8-methyl-2-[4-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine

C14H14F3N3 — CID 117158236

IUPAC8-methyl-2-[4-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine
SMILESCC1CCCn2nc(-c3ccc(C(F)(F)F)cc3)nc21
InChIInChI=1S/C14H14F3N3/c1-9-3-2-8-20-13(9)18-12(19-20)10-4-6-11(7-5-10)14(15,16)17/h4-7,9H,2-3,8H2,1H3
InChIKeyDRBSPKWJUNHJTJ-UHFFFAOYSA-N
MW281.28 g/mol
LogP3.86
Rot. Bonds1

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

8-methyl-2-[4-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine (PubChem CID 117158236) has the molecular formula C14H14F3N3 and a molecular weight of 281.28 g/mol. Its IUPAC name is 8-methyl-2-[4-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine.

Molecular Properties

Compound Name8-methyl-2-[4-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine
PubChem CID117158236
Molecular FormulaC14H14F3N3
Molecular Weight281.28 g/mol
Exact Mass281.11
IUPAC Name8-methyl-2-[4-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine
SMILESCC1CCCn2nc(-c3ccc(C(F)(F)F)cc3)nc21
InChIInChI=1S/C14H14F3N3/c1-9-3-2-8-20-13(9)18-12(19-20)10-4-6-11(7-5-10)14(15,16)17/h4-7,9H,2-3,8H2,1H3
InChIKeyDRBSPKWJUNHJTJ-UHFFFAOYSA-N
XLogP3.86
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.28
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 8-methyl-2-[4-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine with MolForge

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Related Compounds

2-[4-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine
CID 117154570
5-methyl-2-[4-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-amine
CID 83965634
2-[3-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-amine
CID 117128435
5-methyl-2-[4-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine
CID 117155823
2-(2-methylpropoxy)-5-(8-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)aniline
CID 83966772
[4-(8-fluoro-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)phenyl]methanamine
CID 83966866
3-[8-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl]aniline
CID 83966868
(8S)-2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-8-[2-methyl-5-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine
CID 66857040
2-(3-methylphenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-amine
CID 83965478
7-methyl-2-[3-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine
CID 117157015
[2-(4-tert-butylphenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-yl]methanamine
CID 82568015
(4-methylazepan-1-yl)-[4-(trifluoromethyl)phenyl]methanone
CID 84581680

Frequently Asked Questions

What is the IUPAC name of 8-methyl-2-[4-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine?
The IUPAC name of 8-methyl-2-[4-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine (CID 117158236) is 8-methyl-2-[4-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine.
What is the SMILES notation for 8-methyl-2-[4-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine?
The canonical SMILES for 8-methyl-2-[4-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine is CC1CCCn2nc(-c3ccc(C(F)(F)F)cc3)nc21.
What is the InChIKey of 8-methyl-2-[4-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine?
The InChIKey is DRBSPKWJUNHJTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F3N3/c1-9-3-2-8-20-13(9)18-12(19-20)10-4-6-11(7-5-10)14(15,16)17/h4-7,9H,2-3,8H2,1H3.
What are the key properties of 8-methyl-2-[4-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine?
8-methyl-2-[4-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine has a molecular weight of 281.28 g/mol, XLogP of 3.86, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-2-[4-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine is sourced from PubChem (CID 117158236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).