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

C13H16F3N5O2 — CID 155792418

IUPAC5-methyl-6-[[4-(trifluoromethoxy)piperidin-1-yl]methyl]-[1,2,5]oxadiazolo[3,4-b]pyridin-7-amine
SMILESCc1nc2nonc2c(N)c1CN1CCC(OC(F)(F)F)CC1
InChIInChI=1S/C13H16F3N5O2/c1-7-9(10(17)11-12(18-7)20-23-19-11)6-21-4-2-8(3-5-21)22-13(14,15)16/h8H,2-6,17H2,1H3
InChIKeyWGCQGXYLXMBLPP-UHFFFAOYSA-N
MW331.30 g/mol
LogP2.01
Rot. Bonds3

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

5-methyl-6-[[4-(trifluoromethoxy)piperidin-1-yl]methyl]-[1,2,5]oxadiazolo[3,4-b]pyridin-7-amine (PubChem CID 155792418) has the molecular formula C13H16F3N5O2 and a molecular weight of 331.30 g/mol. Its IUPAC name is 5-methyl-6-[[4-(trifluoromethoxy)piperidin-1-yl]methyl]-[1,2,5]oxadiazolo[3,4-b]pyridin-7-amine.

Molecular Properties

Compound Name5-methyl-6-[[4-(trifluoromethoxy)piperidin-1-yl]methyl]-[1,2,5]oxadiazolo[3,4-b]pyridin-7-amine
PubChem CID155792418
Molecular FormulaC13H16F3N5O2
Molecular Weight331.30 g/mol
Exact Mass331.13
IUPAC Name5-methyl-6-[[4-(trifluoromethoxy)piperidin-1-yl]methyl]-[1,2,5]oxadiazolo[3,4-b]pyridin-7-amine
SMILESCc1nc2nonc2c(N)c1CN1CCC(OC(F)(F)F)CC1
InChIInChI=1S/C13H16F3N5O2/c1-7-9(10(17)11-12(18-7)20-23-19-11)6-21-4-2-8(3-5-21)22-13(14,15)16/h8H,2-6,17H2,1H3
InChIKeyWGCQGXYLXMBLPP-UHFFFAOYSA-N
XLogP2.01
TPSA90.30 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.30
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-6-[[4-(trifluoromethoxy)piperidin-1-yl]methyl]-[1,2,5]oxadiazolo[3,4-b]pyridin-7-amine?
The IUPAC name of 5-methyl-6-[[4-(trifluoromethoxy)piperidin-1-yl]methyl]-[1,2,5]oxadiazolo[3,4-b]pyridin-7-amine (CID 155792418) is 5-methyl-6-[[4-(trifluoromethoxy)piperidin-1-yl]methyl]-[1,2,5]oxadiazolo[3,4-b]pyridin-7-amine.
What is the SMILES notation for 5-methyl-6-[[4-(trifluoromethoxy)piperidin-1-yl]methyl]-[1,2,5]oxadiazolo[3,4-b]pyridin-7-amine?
The canonical SMILES for 5-methyl-6-[[4-(trifluoromethoxy)piperidin-1-yl]methyl]-[1,2,5]oxadiazolo[3,4-b]pyridin-7-amine is Cc1nc2nonc2c(N)c1CN1CCC(OC(F)(F)F)CC1.
What is the InChIKey of 5-methyl-6-[[4-(trifluoromethoxy)piperidin-1-yl]methyl]-[1,2,5]oxadiazolo[3,4-b]pyridin-7-amine?
The InChIKey is WGCQGXYLXMBLPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F3N5O2/c1-7-9(10(17)11-12(18-7)20-23-19-11)6-21-4-2-8(3-5-21)22-13(14,15)16/h8H,2-6,17H2,1H3.
What are the key properties of 5-methyl-6-[[4-(trifluoromethoxy)piperidin-1-yl]methyl]-[1,2,5]oxadiazolo[3,4-b]pyridin-7-amine?
5-methyl-6-[[4-(trifluoromethoxy)piperidin-1-yl]methyl]-[1,2,5]oxadiazolo[3,4-b]pyridin-7-amine has a molecular weight of 331.30 g/mol, XLogP of 2.01, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-6-[[4-(trifluoromethoxy)piperidin-1-yl]methyl]-[1,2,5]oxadiazolo[3,4-b]pyridin-7-amine is sourced from PubChem (CID 155792418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).