6-(3,4-difluorophenyl)-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one

C16H11F2N5O2 — CID 58044365

IUPAC6-(3,4-difluorophenyl)-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one
SMILESCc1noc(Cn2nc3ccc(-c4ccc(F)c(F)c4)cn3c2=O)n1
InChIInChI=1S/C16H11F2N5O2/c1-9-19-15(25-21-9)8-23-16(24)22-7-11(3-5-14(22)20-23)10-2-4-12(17)13(18)6-10/h2-7H,8H2,1H3
InChIKeyAWBHWWVHNCWVBA-UHFFFAOYSA-N
MW343.29 g/mol
LogP2.18
Rot. Bonds3

About 6-(3,4-difluorophenyl)-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one

6-(3,4-difluorophenyl)-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one (PubChem CID 58044365) has the molecular formula C16H11F2N5O2 and a molecular weight of 343.29 g/mol. Its IUPAC name is 6-(3,4-difluorophenyl)-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one.

Molecular Properties

Compound Name6-(3,4-difluorophenyl)-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one
PubChem CID58044365
Molecular FormulaC16H11F2N5O2
Molecular Weight343.29 g/mol
Exact Mass343.09
IUPAC Name6-(3,4-difluorophenyl)-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one
SMILESCc1noc(Cn2nc3ccc(-c4ccc(F)c(F)c4)cn3c2=O)n1
InChIInChI=1S/C16H11F2N5O2/c1-9-19-15(25-21-9)8-23-16(24)22-7-11(3-5-14(22)20-23)10-2-4-12(17)13(18)6-10/h2-7H,8H2,1H3
InChIKeyAWBHWWVHNCWVBA-UHFFFAOYSA-N
XLogP2.18
TPSA78.22 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.29
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-(3,4-difluorophenyl)-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one?
The IUPAC name of 6-(3,4-difluorophenyl)-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one (CID 58044365) is 6-(3,4-difluorophenyl)-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one.
What is the SMILES notation for 6-(3,4-difluorophenyl)-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one?
The canonical SMILES for 6-(3,4-difluorophenyl)-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one is Cc1noc(Cn2nc3ccc(-c4ccc(F)c(F)c4)cn3c2=O)n1.
What is the InChIKey of 6-(3,4-difluorophenyl)-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one?
The InChIKey is AWBHWWVHNCWVBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11F2N5O2/c1-9-19-15(25-21-9)8-23-16(24)22-7-11(3-5-14(22)20-23)10-2-4-12(17)13(18)6-10/h2-7H,8H2,1H3.
What are the key properties of 6-(3,4-difluorophenyl)-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one?
6-(3,4-difluorophenyl)-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one has a molecular weight of 343.29 g/mol, XLogP of 2.18, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3,4-difluorophenyl)-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one is sourced from PubChem (CID 58044365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).