1-[4-[(7-amino-5-methyl-[1,2,5]oxadiazolo[3,4-b]pyridin-6-yl)methyl]piperazin-1-yl]-2,2,2-trifluoroethanone

C13H15F3N6O2 — CID 139369653

IUPAC1-[4-[(7-amino-5-methyl-[1,2,5]oxadiazolo[3,4-b]pyridin-6-yl)methyl]piperazin-1-yl]-2,2,2-trifluoroethanone
SMILESCc1nc2nonc2c(N)c1CN1CCN(C(=O)C(F)(F)F)CC1
InChIInChI=1S/C13H15F3N6O2/c1-7-8(9(17)10-11(18-7)20-24-19-10)6-21-2-4-22(5-3-21)12(23)13(14,15)16/h2-6,17H2,1H3
InChIKeyYUFXJTKBKUWOPL-UHFFFAOYSA-N
MW344.30 g/mol
LogP0.71
Rot. Bonds2

About 1-[4-[(7-amino-5-methyl-[1,2,5]oxadiazolo[3,4-b]pyridin-6-yl)methyl]piperazin-1-yl]-2,2,2-trifluoroethanone

1-[4-[(7-amino-5-methyl-[1,2,5]oxadiazolo[3,4-b]pyridin-6-yl)methyl]piperazin-1-yl]-2,2,2-trifluoroethanone (PubChem CID 139369653) has the molecular formula C13H15F3N6O2 and a molecular weight of 344.30 g/mol. Its IUPAC name is 1-[4-[(7-amino-5-methyl-[1,2,5]oxadiazolo[3,4-b]pyridin-6-yl)methyl]piperazin-1-yl]-2,2,2-trifluoroethanone.

Molecular Properties

Compound Name1-[4-[(7-amino-5-methyl-[1,2,5]oxadiazolo[3,4-b]pyridin-6-yl)methyl]piperazin-1-yl]-2,2,2-trifluoroethanone
PubChem CID139369653
Molecular FormulaC13H15F3N6O2
Molecular Weight344.30 g/mol
Exact Mass344.12
IUPAC Name1-[4-[(7-amino-5-methyl-[1,2,5]oxadiazolo[3,4-b]pyridin-6-yl)methyl]piperazin-1-yl]-2,2,2-trifluoroethanone
SMILESCc1nc2nonc2c(N)c1CN1CCN(C(=O)C(F)(F)F)CC1
InChIInChI=1S/C13H15F3N6O2/c1-7-8(9(17)10-11(18-7)20-24-19-10)6-21-2-4-22(5-3-21)12(23)13(14,15)16/h2-6,17H2,1H3
InChIKeyYUFXJTKBKUWOPL-UHFFFAOYSA-N
XLogP0.71
TPSA101.38 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.30
LogP ≤ 50.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[(7-amino-5-methyl-[1,2,5]oxadiazolo[3,4-b]pyridin-6-yl)methyl]piperazin-1-yl]-2,2,2-trifluoroethanone?
The IUPAC name of 1-[4-[(7-amino-5-methyl-[1,2,5]oxadiazolo[3,4-b]pyridin-6-yl)methyl]piperazin-1-yl]-2,2,2-trifluoroethanone (CID 139369653) is 1-[4-[(7-amino-5-methyl-[1,2,5]oxadiazolo[3,4-b]pyridin-6-yl)methyl]piperazin-1-yl]-2,2,2-trifluoroethanone.
What is the SMILES notation for 1-[4-[(7-amino-5-methyl-[1,2,5]oxadiazolo[3,4-b]pyridin-6-yl)methyl]piperazin-1-yl]-2,2,2-trifluoroethanone?
The canonical SMILES for 1-[4-[(7-amino-5-methyl-[1,2,5]oxadiazolo[3,4-b]pyridin-6-yl)methyl]piperazin-1-yl]-2,2,2-trifluoroethanone is Cc1nc2nonc2c(N)c1CN1CCN(C(=O)C(F)(F)F)CC1.
What is the InChIKey of 1-[4-[(7-amino-5-methyl-[1,2,5]oxadiazolo[3,4-b]pyridin-6-yl)methyl]piperazin-1-yl]-2,2,2-trifluoroethanone?
The InChIKey is YUFXJTKBKUWOPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F3N6O2/c1-7-8(9(17)10-11(18-7)20-24-19-10)6-21-2-4-22(5-3-21)12(23)13(14,15)16/h2-6,17H2,1H3.
What are the key properties of 1-[4-[(7-amino-5-methyl-[1,2,5]oxadiazolo[3,4-b]pyridin-6-yl)methyl]piperazin-1-yl]-2,2,2-trifluoroethanone?
1-[4-[(7-amino-5-methyl-[1,2,5]oxadiazolo[3,4-b]pyridin-6-yl)methyl]piperazin-1-yl]-2,2,2-trifluoroethanone has a molecular weight of 344.30 g/mol, XLogP of 0.71, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(7-amino-5-methyl-[1,2,5]oxadiazolo[3,4-b]pyridin-6-yl)methyl]piperazin-1-yl]-2,2,2-trifluoroethanone is sourced from PubChem (CID 139369653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).