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

C13H16F3N5O — CID 139375944

IUPAC5-methyl-6-[[4-(trifluoromethyl)piperidin-1-yl]methyl]-[1,2,5]oxadiazolo[3,4-b]pyridin-7-amine
SMILESCc1nc2nonc2c(N)c1CN1CCC(C(F)(F)F)CC1
InChIInChI=1S/C13H16F3N5O/c1-7-9(10(17)11-12(18-7)20-22-19-11)6-21-4-2-8(3-5-21)13(14,15)16/h8H,2-6,17H2,1H3
InChIKeyXNGZXDLPWORBLI-UHFFFAOYSA-N
MW315.30 g/mol
LogP2.28
Rot. Bonds2

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

5-methyl-6-[[4-(trifluoromethyl)piperidin-1-yl]methyl]-[1,2,5]oxadiazolo[3,4-b]pyridin-7-amine (PubChem CID 139375944) has the molecular formula C13H16F3N5O and a molecular weight of 315.30 g/mol. Its IUPAC name is 5-methyl-6-[[4-(trifluoromethyl)piperidin-1-yl]methyl]-[1,2,5]oxadiazolo[3,4-b]pyridin-7-amine.

Molecular Properties

Compound Name5-methyl-6-[[4-(trifluoromethyl)piperidin-1-yl]methyl]-[1,2,5]oxadiazolo[3,4-b]pyridin-7-amine
PubChem CID139375944
Molecular FormulaC13H16F3N5O
Molecular Weight315.30 g/mol
Exact Mass315.13
IUPAC Name5-methyl-6-[[4-(trifluoromethyl)piperidin-1-yl]methyl]-[1,2,5]oxadiazolo[3,4-b]pyridin-7-amine
SMILESCc1nc2nonc2c(N)c1CN1CCC(C(F)(F)F)CC1
InChIInChI=1S/C13H16F3N5O/c1-7-9(10(17)11-12(18-7)20-22-19-11)6-21-4-2-8(3-5-21)13(14,15)16/h8H,2-6,17H2,1H3
InChIKeyXNGZXDLPWORBLI-UHFFFAOYSA-N
XLogP2.28
TPSA81.07 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.30
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-6-[[4-(trifluoromethyl)piperidin-1-yl]methyl]-[1,2,5]oxadiazolo[3,4-b]pyridin-7-amine?
The IUPAC name of 5-methyl-6-[[4-(trifluoromethyl)piperidin-1-yl]methyl]-[1,2,5]oxadiazolo[3,4-b]pyridin-7-amine (CID 139375944) is 5-methyl-6-[[4-(trifluoromethyl)piperidin-1-yl]methyl]-[1,2,5]oxadiazolo[3,4-b]pyridin-7-amine.
What is the SMILES notation for 5-methyl-6-[[4-(trifluoromethyl)piperidin-1-yl]methyl]-[1,2,5]oxadiazolo[3,4-b]pyridin-7-amine?
The canonical SMILES for 5-methyl-6-[[4-(trifluoromethyl)piperidin-1-yl]methyl]-[1,2,5]oxadiazolo[3,4-b]pyridin-7-amine is Cc1nc2nonc2c(N)c1CN1CCC(C(F)(F)F)CC1.
What is the InChIKey of 5-methyl-6-[[4-(trifluoromethyl)piperidin-1-yl]methyl]-[1,2,5]oxadiazolo[3,4-b]pyridin-7-amine?
The InChIKey is XNGZXDLPWORBLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F3N5O/c1-7-9(10(17)11-12(18-7)20-22-19-11)6-21-4-2-8(3-5-21)13(14,15)16/h8H,2-6,17H2,1H3.
What are the key properties of 5-methyl-6-[[4-(trifluoromethyl)piperidin-1-yl]methyl]-[1,2,5]oxadiazolo[3,4-b]pyridin-7-amine?
5-methyl-6-[[4-(trifluoromethyl)piperidin-1-yl]methyl]-[1,2,5]oxadiazolo[3,4-b]pyridin-7-amine has a molecular weight of 315.30 g/mol, XLogP of 2.28, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-6-[[4-(trifluoromethyl)piperidin-1-yl]methyl]-[1,2,5]oxadiazolo[3,4-b]pyridin-7-amine is sourced from PubChem (CID 139375944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).