5-[3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazol-5-yl]pyridin-2-amine

C10H9F3N4O — CID 79954394

IUPAC5-[3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazol-5-yl]pyridin-2-amine
SMILESNc1ccc(-c2nc(CCC(F)(F)F)no2)cn1
InChIInChI=1S/C10H9F3N4O/c11-10(12,13)4-3-8-16-9(18-17-8)6-1-2-7(14)15-5-6/h1-2,5H,3-4H2,(H2,14,15)
InChIKeyPRXQVNLUCJYMSG-UHFFFAOYSA-N
MW258.20 g/mol
LogP2.21
Rot. Bonds3

About 5-[3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazol-5-yl]pyridin-2-amine

5-[3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazol-5-yl]pyridin-2-amine (PubChem CID 79954394) has the molecular formula C10H9F3N4O and a molecular weight of 258.20 g/mol. Its IUPAC name is 5-[3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazol-5-yl]pyridin-2-amine.

Molecular Properties

Compound Name5-[3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazol-5-yl]pyridin-2-amine
PubChem CID79954394
Molecular FormulaC10H9F3N4O
Molecular Weight258.20 g/mol
Exact Mass258.07
IUPAC Name5-[3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazol-5-yl]pyridin-2-amine
SMILESNc1ccc(-c2nc(CCC(F)(F)F)no2)cn1
InChIInChI=1S/C10H9F3N4O/c11-10(12,13)4-3-8-16-9(18-17-8)6-1-2-7(14)15-5-6/h1-2,5H,3-4H2,(H2,14,15)
InChIKeyPRXQVNLUCJYMSG-UHFFFAOYSA-N
XLogP2.21
TPSA77.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.20
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazol-5-yl]pyridin-2-amine?
The IUPAC name of 5-[3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazol-5-yl]pyridin-2-amine (CID 79954394) is 5-[3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazol-5-yl]pyridin-2-amine.
What is the SMILES notation for 5-[3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazol-5-yl]pyridin-2-amine?
The canonical SMILES for 5-[3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazol-5-yl]pyridin-2-amine is Nc1ccc(-c2nc(CCC(F)(F)F)no2)cn1.
What is the InChIKey of 5-[3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazol-5-yl]pyridin-2-amine?
The InChIKey is PRXQVNLUCJYMSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9F3N4O/c11-10(12,13)4-3-8-16-9(18-17-8)6-1-2-7(14)15-5-6/h1-2,5H,3-4H2,(H2,14,15).
What are the key properties of 5-[3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazol-5-yl]pyridin-2-amine?
5-[3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazol-5-yl]pyridin-2-amine has a molecular weight of 258.20 g/mol, XLogP of 2.21, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazol-5-yl]pyridin-2-amine is sourced from PubChem (CID 79954394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).