2-[2-(N-ethyl-3,4-difluoroanilino)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one

C16H16F2N4O — CID 87019419

IUPAC2-[2-(N-ethyl-3,4-difluoroanilino)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one
SMILESCCN(CCn1nc2ccccn2c1=O)c1ccc(F)c(F)c1
InChIInChI=1S/C16H16F2N4O/c1-2-20(12-6-7-13(17)14(18)11-12)9-10-22-16(23)21-8-4-3-5-15(21)19-22/h3-8,11H,2,9-10H2,1H3
InChIKeyUTMUGSGTCCYYBU-UHFFFAOYSA-N
MW318.33 g/mol
LogP2.30
Rot. Bonds5

About 2-[2-(N-ethyl-3,4-difluoroanilino)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one

2-[2-(N-ethyl-3,4-difluoroanilino)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one (PubChem CID 87019419) has the molecular formula C16H16F2N4O and a molecular weight of 318.33 g/mol. Its IUPAC name is 2-[2-(N-ethyl-3,4-difluoroanilino)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one.

Molecular Properties

Compound Name2-[2-(N-ethyl-3,4-difluoroanilino)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one
PubChem CID87019419
Molecular FormulaC16H16F2N4O
Molecular Weight318.33 g/mol
Exact Mass318.13
IUPAC Name2-[2-(N-ethyl-3,4-difluoroanilino)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one
SMILESCCN(CCn1nc2ccccn2c1=O)c1ccc(F)c(F)c1
InChIInChI=1S/C16H16F2N4O/c1-2-20(12-6-7-13(17)14(18)11-12)9-10-22-16(23)21-8-4-3-5-15(21)19-22/h3-8,11H,2,9-10H2,1H3
InChIKeyUTMUGSGTCCYYBU-UHFFFAOYSA-N
XLogP2.30
TPSA42.54 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.33
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(N-ethyl-3,4-difluoroanilino)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one?
The IUPAC name of 2-[2-(N-ethyl-3,4-difluoroanilino)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one (CID 87019419) is 2-[2-(N-ethyl-3,4-difluoroanilino)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one.
What is the SMILES notation for 2-[2-(N-ethyl-3,4-difluoroanilino)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one?
The canonical SMILES for 2-[2-(N-ethyl-3,4-difluoroanilino)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one is CCN(CCn1nc2ccccn2c1=O)c1ccc(F)c(F)c1.
What is the InChIKey of 2-[2-(N-ethyl-3,4-difluoroanilino)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one?
The InChIKey is UTMUGSGTCCYYBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F2N4O/c1-2-20(12-6-7-13(17)14(18)11-12)9-10-22-16(23)21-8-4-3-5-15(21)19-22/h3-8,11H,2,9-10H2,1H3.
What are the key properties of 2-[2-(N-ethyl-3,4-difluoroanilino)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one?
2-[2-(N-ethyl-3,4-difluoroanilino)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one has a molecular weight of 318.33 g/mol, XLogP of 2.30, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(N-ethyl-3,4-difluoroanilino)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one is sourced from PubChem (CID 87019419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).