ethane;3-ethyl-6-(4-fluorophenyl)sulfanyl-[1,2,4]triazolo[4,3-a]pyridine

C16H18FN3S — CID 142932355

IUPACethane;3-ethyl-6-(4-fluorophenyl)sulfanyl-[1,2,4]triazolo[4,3-a]pyridine
SMILESCC.CCc1nnc2ccc(Sc3ccc(F)cc3)cn12
InChIInChI=1S/C14H12FN3S.C2H6/c1-2-13-16-17-14-8-7-12(9-18(13)14)19-11-5-3-10(15)4-6-11;1-2/h3-9H,2H2,1H3;1-2H3
InChIKeyCBBNUBWCRYYZDJ-UHFFFAOYSA-N
MW303.41 g/mol
LogP4.61
Rot. Bonds3

About ethane;3-ethyl-6-(4-fluorophenyl)sulfanyl-[1,2,4]triazolo[4,3-a]pyridine

ethane;3-ethyl-6-(4-fluorophenyl)sulfanyl-[1,2,4]triazolo[4,3-a]pyridine (PubChem CID 142932355) has the molecular formula C16H18FN3S and a molecular weight of 303.41 g/mol. Its IUPAC name is ethane;3-ethyl-6-(4-fluorophenyl)sulfanyl-[1,2,4]triazolo[4,3-a]pyridine.

Molecular Properties

Compound Nameethane;3-ethyl-6-(4-fluorophenyl)sulfanyl-[1,2,4]triazolo[4,3-a]pyridine
PubChem CID142932355
Molecular FormulaC16H18FN3S
Molecular Weight303.41 g/mol
Exact Mass303.12
IUPAC Nameethane;3-ethyl-6-(4-fluorophenyl)sulfanyl-[1,2,4]triazolo[4,3-a]pyridine
SMILESCC.CCc1nnc2ccc(Sc3ccc(F)cc3)cn12
InChIInChI=1S/C14H12FN3S.C2H6/c1-2-13-16-17-14-8-7-12(9-18(13)14)19-11-5-3-10(15)4-6-11;1-2/h3-9H,2H2,1H3;1-2H3
InChIKeyCBBNUBWCRYYZDJ-UHFFFAOYSA-N
XLogP4.61
TPSA30.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.41
LogP ≤ 54.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-(2,2-dimethylpropyl)-6-fluoro-[1,2,4]triazolo[4,3-a]pyridine
CID 137354654
2-(6-fluoro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)acetaldehyde
CID 166537867
1-(3-ethyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-3-(3-fluorophenyl)urea
CID 53014344
N-(cyanomethyl)-N-(3,5-difluorophenyl)-3-ethyl-[1,2,4]triazolo[4,3-a]pyridine-6-sulfonamide
CID 53158235
2-(6-fluoro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)acetic acid
CID 105448678
5-(2-chloro-5-fluorophenyl)-3-(3-ethyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-1,2,4-oxadiazole
CID 53173325
4-[6-(2,4-difluorophenyl)sulfanyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl]-4-methylpentane-1,2-diol
CID 11697345
5-(6-fluoro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)pentan-1-amine
CID 82058709
6-fluoro-[1,2,4]triazolo[4,3-a]pyridin-3-amine
CID 105429663
6-(2,4-difluorophenyl)sulfanyl-3-(1-methylcyclopropyl)-[1,2,4]triazolo[4,3-a]pyridine;hydrochloride
CID 46227815
2-ethyl-6-fluoroimidazo[1,2-a]pyridine
CID 70295654
5-(3-chlorophenyl)-3-(3-ethyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-1,2,4-oxadiazole
CID 53173299

Frequently Asked Questions

What is the IUPAC name of ethane;3-ethyl-6-(4-fluorophenyl)sulfanyl-[1,2,4]triazolo[4,3-a]pyridine?
The IUPAC name of ethane;3-ethyl-6-(4-fluorophenyl)sulfanyl-[1,2,4]triazolo[4,3-a]pyridine (CID 142932355) is ethane;3-ethyl-6-(4-fluorophenyl)sulfanyl-[1,2,4]triazolo[4,3-a]pyridine.
What is the SMILES notation for ethane;3-ethyl-6-(4-fluorophenyl)sulfanyl-[1,2,4]triazolo[4,3-a]pyridine?
The canonical SMILES for ethane;3-ethyl-6-(4-fluorophenyl)sulfanyl-[1,2,4]triazolo[4,3-a]pyridine is CC.CCc1nnc2ccc(Sc3ccc(F)cc3)cn12.
What is the InChIKey of ethane;3-ethyl-6-(4-fluorophenyl)sulfanyl-[1,2,4]triazolo[4,3-a]pyridine?
The InChIKey is CBBNUBWCRYYZDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12FN3S.C2H6/c1-2-13-16-17-14-8-7-12(9-18(13)14)19-11-5-3-10(15)4-6-11;1-2/h3-9H,2H2,1H3;1-2H3.
What are the key properties of ethane;3-ethyl-6-(4-fluorophenyl)sulfanyl-[1,2,4]triazolo[4,3-a]pyridine?
ethane;3-ethyl-6-(4-fluorophenyl)sulfanyl-[1,2,4]triazolo[4,3-a]pyridine has a molecular weight of 303.41 g/mol, XLogP of 4.61, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3-ethyl-6-(4-fluorophenyl)sulfanyl-[1,2,4]triazolo[4,3-a]pyridine is sourced from PubChem (CID 142932355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).