5-[[3-(2-aminopropan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]-1-methylpyrazolo[5,4-d]pyrimidin-4-one

C12H15N7O2 — CID 63276931

IUPAC5-[[3-(2-aminopropan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]-1-methylpyrazolo[5,4-d]pyrimidin-4-one
SMILESCn1ncc2c(=O)n(Cc3nc(C(C)(C)N)no3)cnc21
InChIInChI=1S/C12H15N7O2/c1-12(2,13)11-16-8(21-17-11)5-19-6-14-9-7(10(19)20)4-15-18(9)3/h4,6H,5,13H2,1-3H3
InChIKeyAKFAPFMKJDEVBB-UHFFFAOYSA-N
MW289.30 g/mol
LogP-0.24
Rot. Bonds3

About 5-[[3-(2-aminopropan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]-1-methylpyrazolo[5,4-d]pyrimidin-4-one

5-[[3-(2-aminopropan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]-1-methylpyrazolo[5,4-d]pyrimidin-4-one (PubChem CID 63276931) has the molecular formula C12H15N7O2 and a molecular weight of 289.30 g/mol. Its IUPAC name is 5-[[3-(2-aminopropan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]-1-methylpyrazolo[5,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name5-[[3-(2-aminopropan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]-1-methylpyrazolo[5,4-d]pyrimidin-4-one
PubChem CID63276931
Molecular FormulaC12H15N7O2
Molecular Weight289.30 g/mol
Exact Mass289.13
IUPAC Name5-[[3-(2-aminopropan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]-1-methylpyrazolo[5,4-d]pyrimidin-4-one
SMILESCn1ncc2c(=O)n(Cc3nc(C(C)(C)N)no3)cnc21
InChIInChI=1S/C12H15N7O2/c1-12(2,13)11-16-8(21-17-11)5-19-6-14-9-7(10(19)20)4-15-18(9)3/h4,6H,5,13H2,1-3H3
InChIKeyAKFAPFMKJDEVBB-UHFFFAOYSA-N
XLogP-0.24
TPSA117.65 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.30
LogP ≤ 5-0.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 5-[[3-(2-aminopropan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]-1-methylpyrazolo[5,4-d]pyrimidin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-[[3-(2-aminopropan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]-1-methylpyrazolo[5,4-d]pyrimidin-4-one?
The IUPAC name of 5-[[3-(2-aminopropan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]-1-methylpyrazolo[5,4-d]pyrimidin-4-one (CID 63276931) is 5-[[3-(2-aminopropan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]-1-methylpyrazolo[5,4-d]pyrimidin-4-one.
What is the SMILES notation for 5-[[3-(2-aminopropan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]-1-methylpyrazolo[5,4-d]pyrimidin-4-one?
The canonical SMILES for 5-[[3-(2-aminopropan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]-1-methylpyrazolo[5,4-d]pyrimidin-4-one is Cn1ncc2c(=O)n(Cc3nc(C(C)(C)N)no3)cnc21.
What is the InChIKey of 5-[[3-(2-aminopropan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]-1-methylpyrazolo[5,4-d]pyrimidin-4-one?
The InChIKey is AKFAPFMKJDEVBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N7O2/c1-12(2,13)11-16-8(21-17-11)5-19-6-14-9-7(10(19)20)4-15-18(9)3/h4,6H,5,13H2,1-3H3.
What are the key properties of 5-[[3-(2-aminopropan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]-1-methylpyrazolo[5,4-d]pyrimidin-4-one?
5-[[3-(2-aminopropan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]-1-methylpyrazolo[5,4-d]pyrimidin-4-one has a molecular weight of 289.30 g/mol, XLogP of -0.24, 3 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[3-(2-aminopropan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]-1-methylpyrazolo[5,4-d]pyrimidin-4-one is sourced from PubChem (CID 63276931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).