5-methoxy-N-[2-methyl-4-(trifluoromethoxy)phenyl]-[1,2,5]oxadiazolo[3,4-b]pyridin-6-amine

C14H11F3N4O3 — CID 146198831

IUPAC5-methoxy-N-[2-methyl-4-(trifluoromethoxy)phenyl]-[1,2,5]oxadiazolo[3,4-b]pyridin-6-amine
SMILESCOc1nc2nonc2cc1Nc1ccc(OC(F)(F)F)cc1C
InChIInChI=1S/C14H11F3N4O3/c1-7-5-8(23-14(15,16)17)3-4-9(7)18-11-6-10-12(21-24-20-10)19-13(11)22-2/h3-6,18H,1-2H3
InChIKeyGECFMRAZRUPMNL-UHFFFAOYSA-N
MW340.26 g/mol
LogP3.58
Rot. Bonds4

About 5-methoxy-N-[2-methyl-4-(trifluoromethoxy)phenyl]-[1,2,5]oxadiazolo[3,4-b]pyridin-6-amine

5-methoxy-N-[2-methyl-4-(trifluoromethoxy)phenyl]-[1,2,5]oxadiazolo[3,4-b]pyridin-6-amine (PubChem CID 146198831) has the molecular formula C14H11F3N4O3 and a molecular weight of 340.26 g/mol. Its IUPAC name is 5-methoxy-N-[2-methyl-4-(trifluoromethoxy)phenyl]-[1,2,5]oxadiazolo[3,4-b]pyridin-6-amine.

Molecular Properties

Compound Name5-methoxy-N-[2-methyl-4-(trifluoromethoxy)phenyl]-[1,2,5]oxadiazolo[3,4-b]pyridin-6-amine
PubChem CID146198831
Molecular FormulaC14H11F3N4O3
Molecular Weight340.26 g/mol
Exact Mass340.08
IUPAC Name5-methoxy-N-[2-methyl-4-(trifluoromethoxy)phenyl]-[1,2,5]oxadiazolo[3,4-b]pyridin-6-amine
SMILESCOc1nc2nonc2cc1Nc1ccc(OC(F)(F)F)cc1C
InChIInChI=1S/C14H11F3N4O3/c1-7-5-8(23-14(15,16)17)3-4-9(7)18-11-6-10-12(21-24-20-10)19-13(11)22-2/h3-6,18H,1-2H3
InChIKeyGECFMRAZRUPMNL-UHFFFAOYSA-N
XLogP3.58
TPSA82.30 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.26
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-methoxy-N-[2-methyl-4-(trifluoromethoxy)phenyl]-[1,2,5]oxadiazolo[3,4-b]pyridin-6-amine?
The IUPAC name of 5-methoxy-N-[2-methyl-4-(trifluoromethoxy)phenyl]-[1,2,5]oxadiazolo[3,4-b]pyridin-6-amine (CID 146198831) is 5-methoxy-N-[2-methyl-4-(trifluoromethoxy)phenyl]-[1,2,5]oxadiazolo[3,4-b]pyridin-6-amine.
What is the SMILES notation for 5-methoxy-N-[2-methyl-4-(trifluoromethoxy)phenyl]-[1,2,5]oxadiazolo[3,4-b]pyridin-6-amine?
The canonical SMILES for 5-methoxy-N-[2-methyl-4-(trifluoromethoxy)phenyl]-[1,2,5]oxadiazolo[3,4-b]pyridin-6-amine is COc1nc2nonc2cc1Nc1ccc(OC(F)(F)F)cc1C.
What is the InChIKey of 5-methoxy-N-[2-methyl-4-(trifluoromethoxy)phenyl]-[1,2,5]oxadiazolo[3,4-b]pyridin-6-amine?
The InChIKey is GECFMRAZRUPMNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11F3N4O3/c1-7-5-8(23-14(15,16)17)3-4-9(7)18-11-6-10-12(21-24-20-10)19-13(11)22-2/h3-6,18H,1-2H3.
What are the key properties of 5-methoxy-N-[2-methyl-4-(trifluoromethoxy)phenyl]-[1,2,5]oxadiazolo[3,4-b]pyridin-6-amine?
5-methoxy-N-[2-methyl-4-(trifluoromethoxy)phenyl]-[1,2,5]oxadiazolo[3,4-b]pyridin-6-amine has a molecular weight of 340.26 g/mol, XLogP of 3.58, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-N-[2-methyl-4-(trifluoromethoxy)phenyl]-[1,2,5]oxadiazolo[3,4-b]pyridin-6-amine is sourced from PubChem (CID 146198831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).