2-[2-(5-fluoro-2-methylanilino)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one

C15H15FN4O — CID 43062985

IUPAC2-[2-(5-fluoro-2-methylanilino)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one
SMILESCc1ccc(F)cc1NCCn1nc2ccccn2c1=O
InChIInChI=1S/C15H15FN4O/c1-11-5-6-12(16)10-13(11)17-7-9-20-15(21)19-8-3-2-4-14(19)18-20/h2-6,8,10,17H,7,9H2,1H3
InChIKeyBEKLKRKEXVADAM-UHFFFAOYSA-N
MW286.31 g/mol
LogP2.06
Rot. Bonds4

About 2-[2-(5-fluoro-2-methylanilino)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one

2-[2-(5-fluoro-2-methylanilino)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one (PubChem CID 43062985) has the molecular formula C15H15FN4O and a molecular weight of 286.31 g/mol. Its IUPAC name is 2-[2-(5-fluoro-2-methylanilino)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one.

Molecular Properties

Compound Name2-[2-(5-fluoro-2-methylanilino)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one
PubChem CID43062985
Molecular FormulaC15H15FN4O
Molecular Weight286.31 g/mol
Exact Mass286.12
IUPAC Name2-[2-(5-fluoro-2-methylanilino)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one
SMILESCc1ccc(F)cc1NCCn1nc2ccccn2c1=O
InChIInChI=1S/C15H15FN4O/c1-11-5-6-12(16)10-13(11)17-7-9-20-15(21)19-8-3-2-4-14(19)18-20/h2-6,8,10,17H,7,9H2,1H3
InChIKeyBEKLKRKEXVADAM-UHFFFAOYSA-N
XLogP2.06
TPSA51.33 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.31
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(5-fluoro-2-methylanilino)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one?
The IUPAC name of 2-[2-(5-fluoro-2-methylanilino)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one (CID 43062985) is 2-[2-(5-fluoro-2-methylanilino)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one.
What is the SMILES notation for 2-[2-(5-fluoro-2-methylanilino)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one?
The canonical SMILES for 2-[2-(5-fluoro-2-methylanilino)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one is Cc1ccc(F)cc1NCCn1nc2ccccn2c1=O.
What is the InChIKey of 2-[2-(5-fluoro-2-methylanilino)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one?
The InChIKey is BEKLKRKEXVADAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15FN4O/c1-11-5-6-12(16)10-13(11)17-7-9-20-15(21)19-8-3-2-4-14(19)18-20/h2-6,8,10,17H,7,9H2,1H3.
What are the key properties of 2-[2-(5-fluoro-2-methylanilino)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one?
2-[2-(5-fluoro-2-methylanilino)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one has a molecular weight of 286.31 g/mol, XLogP of 2.06, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(5-fluoro-2-methylanilino)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one is sourced from PubChem (CID 43062985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).