5-methyl-6-[[3-(trifluoromethyl)azetidin-1-yl]methyl]-[1,2,5]oxadiazolo[3,4-b]pyridin-7-amine

C11H12F3N5O — CID 139375957

IUPAC5-methyl-6-[[3-(trifluoromethyl)azetidin-1-yl]methyl]-[1,2,5]oxadiazolo[3,4-b]pyridin-7-amine
SMILESCc1nc2nonc2c(N)c1CN1CC(C(F)(F)F)C1
InChIInChI=1S/C11H12F3N5O/c1-5-7(4-19-2-6(3-19)11(12,13)14)8(15)9-10(16-5)18-20-17-9/h6H,2-4,15H2,1H3
InChIKeyNQMOZTLKCZMOEM-UHFFFAOYSA-N
MW287.25 g/mol
LogP1.50
Rot. Bonds2

About 5-methyl-6-[[3-(trifluoromethyl)azetidin-1-yl]methyl]-[1,2,5]oxadiazolo[3,4-b]pyridin-7-amine

5-methyl-6-[[3-(trifluoromethyl)azetidin-1-yl]methyl]-[1,2,5]oxadiazolo[3,4-b]pyridin-7-amine (PubChem CID 139375957) has the molecular formula C11H12F3N5O and a molecular weight of 287.25 g/mol. Its IUPAC name is 5-methyl-6-[[3-(trifluoromethyl)azetidin-1-yl]methyl]-[1,2,5]oxadiazolo[3,4-b]pyridin-7-amine.

Molecular Properties

Compound Name5-methyl-6-[[3-(trifluoromethyl)azetidin-1-yl]methyl]-[1,2,5]oxadiazolo[3,4-b]pyridin-7-amine
PubChem CID139375957
Molecular FormulaC11H12F3N5O
Molecular Weight287.25 g/mol
Exact Mass287.10
IUPAC Name5-methyl-6-[[3-(trifluoromethyl)azetidin-1-yl]methyl]-[1,2,5]oxadiazolo[3,4-b]pyridin-7-amine
SMILESCc1nc2nonc2c(N)c1CN1CC(C(F)(F)F)C1
InChIInChI=1S/C11H12F3N5O/c1-5-7(4-19-2-6(3-19)11(12,13)14)8(15)9-10(16-5)18-20-17-9/h6H,2-4,15H2,1H3
InChIKeyNQMOZTLKCZMOEM-UHFFFAOYSA-N
XLogP1.50
TPSA81.07 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.25
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 5-methyl-6-[[3-(trifluoromethyl)azetidin-1-yl]methyl]-[1,2,5]oxadiazolo[3,4-b]pyridin-7-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-methyl-6-[[3-(trifluoromethyl)azetidin-1-yl]methyl]-[1,2,5]oxadiazolo[3,4-b]pyridin-7-amine?
The IUPAC name of 5-methyl-6-[[3-(trifluoromethyl)azetidin-1-yl]methyl]-[1,2,5]oxadiazolo[3,4-b]pyridin-7-amine (CID 139375957) is 5-methyl-6-[[3-(trifluoromethyl)azetidin-1-yl]methyl]-[1,2,5]oxadiazolo[3,4-b]pyridin-7-amine.
What is the SMILES notation for 5-methyl-6-[[3-(trifluoromethyl)azetidin-1-yl]methyl]-[1,2,5]oxadiazolo[3,4-b]pyridin-7-amine?
The canonical SMILES for 5-methyl-6-[[3-(trifluoromethyl)azetidin-1-yl]methyl]-[1,2,5]oxadiazolo[3,4-b]pyridin-7-amine is Cc1nc2nonc2c(N)c1CN1CC(C(F)(F)F)C1.
What is the InChIKey of 5-methyl-6-[[3-(trifluoromethyl)azetidin-1-yl]methyl]-[1,2,5]oxadiazolo[3,4-b]pyridin-7-amine?
The InChIKey is NQMOZTLKCZMOEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F3N5O/c1-5-7(4-19-2-6(3-19)11(12,13)14)8(15)9-10(16-5)18-20-17-9/h6H,2-4,15H2,1H3.
What are the key properties of 5-methyl-6-[[3-(trifluoromethyl)azetidin-1-yl]methyl]-[1,2,5]oxadiazolo[3,4-b]pyridin-7-amine?
5-methyl-6-[[3-(trifluoromethyl)azetidin-1-yl]methyl]-[1,2,5]oxadiazolo[3,4-b]pyridin-7-amine has a molecular weight of 287.25 g/mol, XLogP of 1.50, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-6-[[3-(trifluoromethyl)azetidin-1-yl]methyl]-[1,2,5]oxadiazolo[3,4-b]pyridin-7-amine is sourced from PubChem (CID 139375957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).