2-(5-methylpyrazin-2-yl)-5-pyridin-3-yl-1,3,4-oxadiazole;2,2,2-trifluoroacetic acid

C14H10F3N5O3 — CID 68721819

IUPAC2-(5-methylpyrazin-2-yl)-5-pyridin-3-yl-1,3,4-oxadiazole;2,2,2-trifluoroacetic acid
SMILESCc1cnc(-c2nnc(-c3cccnc3)o2)cn1.O=C(O)C(F)(F)F
InChIInChI=1S/C12H9N5O.C2HF3O2/c1-8-5-15-10(7-14-8)12-17-16-11(18-12)9-3-2-4-13-6-9;3-2(4,5)1(6)7/h2-7H,1H3;(H,6,7)
InChIKeyNLXSNPVXNZMGCK-UHFFFAOYSA-N
MW353.26 g/mol
LogP2.53
Rot. Bonds2

About 2-(5-methylpyrazin-2-yl)-5-pyridin-3-yl-1,3,4-oxadiazole;2,2,2-trifluoroacetic acid

2-(5-methylpyrazin-2-yl)-5-pyridin-3-yl-1,3,4-oxadiazole;2,2,2-trifluoroacetic acid (PubChem CID 68721819) has the molecular formula C14H10F3N5O3 and a molecular weight of 353.26 g/mol. Its IUPAC name is 2-(5-methylpyrazin-2-yl)-5-pyridin-3-yl-1,3,4-oxadiazole;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name2-(5-methylpyrazin-2-yl)-5-pyridin-3-yl-1,3,4-oxadiazole;2,2,2-trifluoroacetic acid
PubChem CID68721819
Molecular FormulaC14H10F3N5O3
Molecular Weight353.26 g/mol
Exact Mass353.07
IUPAC Name2-(5-methylpyrazin-2-yl)-5-pyridin-3-yl-1,3,4-oxadiazole;2,2,2-trifluoroacetic acid
SMILESCc1cnc(-c2nnc(-c3cccnc3)o2)cn1.O=C(O)C(F)(F)F
InChIInChI=1S/C12H9N5O.C2HF3O2/c1-8-5-15-10(7-14-8)12-17-16-11(18-12)9-3-2-4-13-6-9;3-2(4,5)1(6)7/h2-7H,1H3;(H,6,7)
InChIKeyNLXSNPVXNZMGCK-UHFFFAOYSA-N
XLogP2.53
TPSA114.89 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.26
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-(5-methylpyrazin-2-yl)-5-pyridin-3-yl-1,3,4-oxadiazole;2,2,2-trifluoroacetic acid?
The IUPAC name of 2-(5-methylpyrazin-2-yl)-5-pyridin-3-yl-1,3,4-oxadiazole;2,2,2-trifluoroacetic acid (CID 68721819) is 2-(5-methylpyrazin-2-yl)-5-pyridin-3-yl-1,3,4-oxadiazole;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 2-(5-methylpyrazin-2-yl)-5-pyridin-3-yl-1,3,4-oxadiazole;2,2,2-trifluoroacetic acid?
The canonical SMILES for 2-(5-methylpyrazin-2-yl)-5-pyridin-3-yl-1,3,4-oxadiazole;2,2,2-trifluoroacetic acid is Cc1cnc(-c2nnc(-c3cccnc3)o2)cn1.O=C(O)C(F)(F)F.
What is the InChIKey of 2-(5-methylpyrazin-2-yl)-5-pyridin-3-yl-1,3,4-oxadiazole;2,2,2-trifluoroacetic acid?
The InChIKey is NLXSNPVXNZMGCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9N5O.C2HF3O2/c1-8-5-15-10(7-14-8)12-17-16-11(18-12)9-3-2-4-13-6-9;3-2(4,5)1(6)7/h2-7H,1H3;(H,6,7).
What are the key properties of 2-(5-methylpyrazin-2-yl)-5-pyridin-3-yl-1,3,4-oxadiazole;2,2,2-trifluoroacetic acid?
2-(5-methylpyrazin-2-yl)-5-pyridin-3-yl-1,3,4-oxadiazole;2,2,2-trifluoroacetic acid has a molecular weight of 353.26 g/mol, XLogP of 2.53, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methylpyrazin-2-yl)-5-pyridin-3-yl-1,3,4-oxadiazole;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 68721819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).