5-methyl-6-[[5-(trifluoromethoxy)-2-pyridinyl]methyl]-[1,2,5]oxadiazolo[3,4-b]pyridin-7-amine

C13H10F3N5O2 — CID 134229565

IUPAC5-methyl-6-[[5-(trifluoromethoxy)-2-pyridinyl]methyl]-[1,2,5]oxadiazolo[3,4-b]pyridin-7-amine
SMILESCc1nc2nonc2c(N)c1Cc1ccc(OC(F)(F)F)cn1
InChIInChI=1S/C13H10F3N5O2/c1-6-9(10(17)11-12(19-6)21-23-20-11)4-7-2-3-8(5-18-7)22-13(14,15)16/h2-3,5H,4,17H2,1H3
InChIKeyZLAHXAFCPSEKPZ-UHFFFAOYSA-N
MW325.25 g/mol
LogP2.39
Rot. Bonds3

About 5-methyl-6-[[5-(trifluoromethoxy)-2-pyridinyl]methyl]-[1,2,5]oxadiazolo[3,4-b]pyridin-7-amine

5-methyl-6-[[5-(trifluoromethoxy)-2-pyridinyl]methyl]-[1,2,5]oxadiazolo[3,4-b]pyridin-7-amine (PubChem CID 134229565) has the molecular formula C13H10F3N5O2 and a molecular weight of 325.25 g/mol. Its IUPAC name is 5-methyl-6-[[5-(trifluoromethoxy)-2-pyridinyl]methyl]-[1,2,5]oxadiazolo[3,4-b]pyridin-7-amine.

Molecular Properties

Compound Name5-methyl-6-[[5-(trifluoromethoxy)-2-pyridinyl]methyl]-[1,2,5]oxadiazolo[3,4-b]pyridin-7-amine
PubChem CID134229565
Molecular FormulaC13H10F3N5O2
Molecular Weight325.25 g/mol
Exact Mass325.08
IUPAC Name5-methyl-6-[[5-(trifluoromethoxy)-2-pyridinyl]methyl]-[1,2,5]oxadiazolo[3,4-b]pyridin-7-amine
SMILESCc1nc2nonc2c(N)c1Cc1ccc(OC(F)(F)F)cn1
InChIInChI=1S/C13H10F3N5O2/c1-6-9(10(17)11-12(19-6)21-23-20-11)4-7-2-3-8(5-18-7)22-13(14,15)16/h2-3,5H,4,17H2,1H3
InChIKeyZLAHXAFCPSEKPZ-UHFFFAOYSA-N
XLogP2.39
TPSA99.95 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.25
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-6-[[5-(trifluoromethoxy)-2-pyridinyl]methyl]-[1,2,5]oxadiazolo[3,4-b]pyridin-7-amine?
The IUPAC name of 5-methyl-6-[[5-(trifluoromethoxy)-2-pyridinyl]methyl]-[1,2,5]oxadiazolo[3,4-b]pyridin-7-amine (CID 134229565) is 5-methyl-6-[[5-(trifluoromethoxy)-2-pyridinyl]methyl]-[1,2,5]oxadiazolo[3,4-b]pyridin-7-amine.
What is the SMILES notation for 5-methyl-6-[[5-(trifluoromethoxy)-2-pyridinyl]methyl]-[1,2,5]oxadiazolo[3,4-b]pyridin-7-amine?
The canonical SMILES for 5-methyl-6-[[5-(trifluoromethoxy)-2-pyridinyl]methyl]-[1,2,5]oxadiazolo[3,4-b]pyridin-7-amine is Cc1nc2nonc2c(N)c1Cc1ccc(OC(F)(F)F)cn1.
What is the InChIKey of 5-methyl-6-[[5-(trifluoromethoxy)-2-pyridinyl]methyl]-[1,2,5]oxadiazolo[3,4-b]pyridin-7-amine?
The InChIKey is ZLAHXAFCPSEKPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10F3N5O2/c1-6-9(10(17)11-12(19-6)21-23-20-11)4-7-2-3-8(5-18-7)22-13(14,15)16/h2-3,5H,4,17H2,1H3.
What are the key properties of 5-methyl-6-[[5-(trifluoromethoxy)-2-pyridinyl]methyl]-[1,2,5]oxadiazolo[3,4-b]pyridin-7-amine?
5-methyl-6-[[5-(trifluoromethoxy)-2-pyridinyl]methyl]-[1,2,5]oxadiazolo[3,4-b]pyridin-7-amine has a molecular weight of 325.25 g/mol, XLogP of 2.39, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-6-[[5-(trifluoromethoxy)-2-pyridinyl]methyl]-[1,2,5]oxadiazolo[3,4-b]pyridin-7-amine is sourced from PubChem (CID 134229565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).