ethane;3-(2-fluorophenyl)-7-methyl-[1,2,4]triazolo[4,3-a]pyridine

C15H16FN3 — CID 145469042

IUPACethane;3-(2-fluorophenyl)-7-methyl-[1,2,4]triazolo[4,3-a]pyridine
SMILESCC.Cc1ccn2c(-c3ccccc3F)nnc2c1
InChIInChI=1S/C13H10FN3.C2H6/c1-9-6-7-17-12(8-9)15-16-13(17)10-4-2-3-5-11(10)14;1-2/h2-8H,1H3;1-2H3
InChIKeyGHIOEMZERKRCLT-UHFFFAOYSA-N
MW257.31 g/mol
LogP3.87
Rot. Bonds1

About ethane;3-(2-fluorophenyl)-7-methyl-[1,2,4]triazolo[4,3-a]pyridine

ethane;3-(2-fluorophenyl)-7-methyl-[1,2,4]triazolo[4,3-a]pyridine (PubChem CID 145469042) has the molecular formula C15H16FN3 and a molecular weight of 257.31 g/mol. Its IUPAC name is ethane;3-(2-fluorophenyl)-7-methyl-[1,2,4]triazolo[4,3-a]pyridine.

Molecular Properties

Compound Nameethane;3-(2-fluorophenyl)-7-methyl-[1,2,4]triazolo[4,3-a]pyridine
PubChem CID145469042
Molecular FormulaC15H16FN3
Molecular Weight257.31 g/mol
Exact Mass257.13
IUPAC Nameethane;3-(2-fluorophenyl)-7-methyl-[1,2,4]triazolo[4,3-a]pyridine
SMILESCC.Cc1ccn2c(-c3ccccc3F)nnc2c1
InChIInChI=1S/C13H10FN3.C2H6/c1-9-6-7-17-12(8-9)15-16-13(17)10-4-2-3-5-11(10)14;1-2/h2-8H,1H3;1-2H3
InChIKeyGHIOEMZERKRCLT-UHFFFAOYSA-N
XLogP3.87
TPSA30.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.31
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-fluorophenyl)-7-methylimidazo[1,2-a]pyridin-3-amine
CID 63617281
2-(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)-5-(2-fluorophenyl)-1,3,4-oxadiazole
CID 99962723
3-(2,6-dichlorophenyl)-7-methyl-[1,2,4]triazolo[4,3-a]pyridine
CID 145469047
3-(2-fluorophenyl)-[1,2,4]triazolo[4,3-a]pyridin-6-ol
CID 117139848
7-methoxy-3-(2-methylphenyl)-[1,2,4]triazolo[4,3-a]pyridine
CID 117143138
3-(5-bromothiophen-2-yl)-7-methyl-[1,2,4]triazolo[4,3-a]pyridine
CID 117144382
6-chloro-3-(2-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazine
CID 43144392
7-chloro-3-(2-fluoro-5-methylphenyl)-[1,2,4]triazolo[4,3-c]pyrimidine
CID 62508923
2,6-dichloro-4-(7-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)aniline
CID 82830427
4,5-difluoro-2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)aniline
CID 62865900
2-(7-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)ethanamine
CID 79002399
2-fluoro-1-(2-fluorophenyl)-4-methylbenzene
CID 46313956

Frequently Asked Questions

What is the IUPAC name of ethane;3-(2-fluorophenyl)-7-methyl-[1,2,4]triazolo[4,3-a]pyridine?
The IUPAC name of ethane;3-(2-fluorophenyl)-7-methyl-[1,2,4]triazolo[4,3-a]pyridine (CID 145469042) is ethane;3-(2-fluorophenyl)-7-methyl-[1,2,4]triazolo[4,3-a]pyridine.
What is the SMILES notation for ethane;3-(2-fluorophenyl)-7-methyl-[1,2,4]triazolo[4,3-a]pyridine?
The canonical SMILES for ethane;3-(2-fluorophenyl)-7-methyl-[1,2,4]triazolo[4,3-a]pyridine is CC.Cc1ccn2c(-c3ccccc3F)nnc2c1.
What is the InChIKey of ethane;3-(2-fluorophenyl)-7-methyl-[1,2,4]triazolo[4,3-a]pyridine?
The InChIKey is GHIOEMZERKRCLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10FN3.C2H6/c1-9-6-7-17-12(8-9)15-16-13(17)10-4-2-3-5-11(10)14;1-2/h2-8H,1H3;1-2H3.
What are the key properties of ethane;3-(2-fluorophenyl)-7-methyl-[1,2,4]triazolo[4,3-a]pyridine?
ethane;3-(2-fluorophenyl)-7-methyl-[1,2,4]triazolo[4,3-a]pyridine has a molecular weight of 257.31 g/mol, XLogP of 3.87, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3-(2-fluorophenyl)-7-methyl-[1,2,4]triazolo[4,3-a]pyridine is sourced from PubChem (CID 145469042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).