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

C17H12F3N5O2 — CID 56595886

IUPAC2-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-6-[4-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one
SMILESCc1noc(Cn2nc3ccc(-c4ccc(C(F)(F)F)cc4)cn3c2=O)n1
InChIInChI=1S/C17H12F3N5O2/c1-10-21-15(27-23-10)9-25-16(26)24-8-12(4-7-14(24)22-25)11-2-5-13(6-3-11)17(18,19)20/h2-8H,9H2,1H3
InChIKeyFVJXVFFYXMUTMD-UHFFFAOYSA-N
MW375.31 g/mol
LogP2.92
Rot. Bonds3

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

2-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-6-[4-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one (PubChem CID 56595886) has the molecular formula C17H12F3N5O2 and a molecular weight of 375.31 g/mol. Its IUPAC name is 2-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-6-[4-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one.

Molecular Properties

Compound Name2-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-6-[4-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one
PubChem CID56595886
Molecular FormulaC17H12F3N5O2
Molecular Weight375.31 g/mol
Exact Mass375.09
IUPAC Name2-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-6-[4-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one
SMILESCc1noc(Cn2nc3ccc(-c4ccc(C(F)(F)F)cc4)cn3c2=O)n1
InChIInChI=1S/C17H12F3N5O2/c1-10-21-15(27-23-10)9-25-16(26)24-8-12(4-7-14(24)22-25)11-2-5-13(6-3-11)17(18,19)20/h2-8H,9H2,1H3
InChIKeyFVJXVFFYXMUTMD-UHFFFAOYSA-N
XLogP2.92
TPSA78.22 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.31
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-6-[4-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one?
The IUPAC name of 2-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-6-[4-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one (CID 56595886) is 2-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-6-[4-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one.
What is the SMILES notation for 2-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-6-[4-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one?
The canonical SMILES for 2-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-6-[4-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one is Cc1noc(Cn2nc3ccc(-c4ccc(C(F)(F)F)cc4)cn3c2=O)n1.
What is the InChIKey of 2-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-6-[4-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one?
The InChIKey is FVJXVFFYXMUTMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12F3N5O2/c1-10-21-15(27-23-10)9-25-16(26)24-8-12(4-7-14(24)22-25)11-2-5-13(6-3-11)17(18,19)20/h2-8H,9H2,1H3.
What are the key properties of 2-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-6-[4-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one?
2-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-6-[4-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one has a molecular weight of 375.31 g/mol, XLogP of 2.92, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-6-[4-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one is sourced from PubChem (CID 56595886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).