3-(2-methoxynaphthalen-1-yl)-6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine

C18H12F3N3O — CID 676172

IUPAC3-(2-methoxynaphthalen-1-yl)-6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine
SMILESCOc1ccc2ccccc2c1-c1nnc2ccc(C(F)(F)F)cn12
InChIInChI=1S/C18H12F3N3O/c1-25-14-8-6-11-4-2-3-5-13(11)16(14)17-23-22-15-9-7-12(10-24(15)17)18(19,20)21/h2-10H,1H3
InChIKeyQPFUXOOFPBYPOA-UHFFFAOYSA-N
MW343.31 g/mol
LogP4.58
Rot. Bonds2

About 3-(2-methoxynaphthalen-1-yl)-6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine

3-(2-methoxynaphthalen-1-yl)-6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine (PubChem CID 676172) has the molecular formula C18H12F3N3O and a molecular weight of 343.31 g/mol. Its IUPAC name is 3-(2-methoxynaphthalen-1-yl)-6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine.

Molecular Properties

Compound Name3-(2-methoxynaphthalen-1-yl)-6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine
PubChem CID676172
Molecular FormulaC18H12F3N3O
Molecular Weight343.31 g/mol
Exact Mass343.09
IUPAC Name3-(2-methoxynaphthalen-1-yl)-6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine
SMILESCOc1ccc2ccccc2c1-c1nnc2ccc(C(F)(F)F)cn12
InChIInChI=1S/C18H12F3N3O/c1-25-14-8-6-11-4-2-3-5-13(11)16(14)17-23-22-15-9-7-12(10-24(15)17)18(19,20)21/h2-10H,1H3
InChIKeyQPFUXOOFPBYPOA-UHFFFAOYSA-N
XLogP4.58
TPSA39.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.31
LogP ≤ 54.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

6-(4-Methoxy-phenyl)-3-phenyl-pyrazolo[1,5-a]pyrimidine
CID 5329337
6-(4-Methoxyphenyl)-3-pyridin-4-ylpyrazolo[1,5-a]pyrimidine
CID 5329457
6-(4-Methoxyphenyl)-3-(pyridin-3-yl)pyrazolo[1,5-a]pyrimidine
CID 5329458
GS-458967
CID 58118983
3-(Cyclopropylmethyl)-7-(4-phenylcyclohexyl)oxy-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine
CID 117971665
3,6-Bis(4-propan-2-yloxyphenyl)-[1,2,4]triazolo[4,3-a]pyridine
CID 134179263
1,2,4-Triazolo(3,4-a)isoquinoline, 8,9-dimethoxy-3-methyl-
CID 206669
4-[3-(3-Methoxyphenyl)pyrazolo[1,5-a]pyrimidin-6-yl]pyridine
CID 5329465
4-[3-(4-Methoxyphenyl)pyrazolo[1,5-a]pyrimidin-6-yl]pyridine
CID 5329466
3-(Cyclopropylmethyl)-7-[3-fluoro-4-(2-methylpyridin-4-yl)oxyphenyl]-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine
CID 49801368
1-isopropyl-3-(3-methoxynaphthalen-2-yl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine
CID 54583484
3-(Cyclopropylmethyl)-7-[3-fluoro-4-[(6-methoxypyridin-3-yl)methoxy]phenyl]-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine
CID 66784675

Frequently Asked Questions

What is the IUPAC name of 3-(2-methoxynaphthalen-1-yl)-6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine?
The IUPAC name of 3-(2-methoxynaphthalen-1-yl)-6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine (CID 676172) is 3-(2-methoxynaphthalen-1-yl)-6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine.
What is the SMILES notation for 3-(2-methoxynaphthalen-1-yl)-6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine?
The canonical SMILES for 3-(2-methoxynaphthalen-1-yl)-6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine is COc1ccc2ccccc2c1-c1nnc2ccc(C(F)(F)F)cn12.
What is the InChIKey of 3-(2-methoxynaphthalen-1-yl)-6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine?
The InChIKey is QPFUXOOFPBYPOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12F3N3O/c1-25-14-8-6-11-4-2-3-5-13(11)16(14)17-23-22-15-9-7-12(10-24(15)17)18(19,20)21/h2-10H,1H3.
What are the key properties of 3-(2-methoxynaphthalen-1-yl)-6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine?
3-(2-methoxynaphthalen-1-yl)-6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine has a molecular weight of 343.31 g/mol, XLogP of 4.58, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methoxynaphthalen-1-yl)-6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine is sourced from PubChem (CID 676172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).