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

C13H16N6O2 — CID 166201258

IUPAC1-methyl-5-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]pyrazolo[5,4-d]pyrimidin-4-one
SMILESCC(C)Cc1noc(Cn2cnc3c(cnn3C)c2=O)n1
InChIInChI=1S/C13H16N6O2/c1-8(2)4-10-16-11(21-17-10)6-19-7-14-12-9(13(19)20)5-15-18(12)3/h5,7-8H,4,6H2,1-3H3
InChIKeyAWEJIHAKRLQIKD-UHFFFAOYSA-N
MW288.31 g/mol
LogP0.76
Rot. Bonds4

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

1-methyl-5-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]pyrazolo[5,4-d]pyrimidin-4-one (PubChem CID 166201258) has the molecular formula C13H16N6O2 and a molecular weight of 288.31 g/mol. Its IUPAC name is 1-methyl-5-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]pyrazolo[5,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name1-methyl-5-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]pyrazolo[5,4-d]pyrimidin-4-one
PubChem CID166201258
Molecular FormulaC13H16N6O2
Molecular Weight288.31 g/mol
Exact Mass288.13
IUPAC Name1-methyl-5-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]pyrazolo[5,4-d]pyrimidin-4-one
SMILESCC(C)Cc1noc(Cn2cnc3c(cnn3C)c2=O)n1
InChIInChI=1S/C13H16N6O2/c1-8(2)4-10-16-11(21-17-10)6-19-7-14-12-9(13(19)20)5-15-18(12)3/h5,7-8H,4,6H2,1-3H3
InChIKeyAWEJIHAKRLQIKD-UHFFFAOYSA-N
XLogP0.76
TPSA91.63 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.31
LogP ≤ 50.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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

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Related Compounds

5-[[3-(2-aminopropan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]-1-methylpyrazolo[5,4-d]pyrimidin-4-one
CID 63276931
5-[[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-1-methylpyrazolo[5,4-d]pyrimidin-4-one
CID 27559629
3-(2-methylpropyl)-5-[[4-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]methyl]-1,2,4-oxadiazole
CID 18156034
3-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]-9H-pyrimido[4,5-b]indol-4-one
CID 125420467
1-methyl-5-[3-(methylamino)butyl]pyrazolo[5,4-d]pyrimidin-4-one
CID 63277513
1-methyl-5-[(4-propan-2-yloxyphenyl)methyl]pyrazolo[5,4-d]pyrimidin-4-one
CID 51107868
1-methyl-5-pentylpyrazolo[5,4-d]pyrimidin-4-one
CID 163346905
6-(hydroxymethyl)-3-[[3-(2-hydroxypropyl)-1,2,4-oxadiazol-5-yl]methyl]-5-methylpyrimidin-4-one
CID 170571487
5-(4-bromobutyl)-1-methylpyrazolo[5,4-d]pyrimidin-4-one
CID 63277468
5-[4-(ethylamino)butyl]-1-methylpyrazolo[5,4-d]pyrimidin-4-one
CID 55088277
5-[(2-amino-6-chlorophenyl)methyl]-1-methylpyrazolo[5,4-d]pyrimidin-4-one
CID 63746275
5-[(2-methoxy-4,6-dimethyl-3-pyridinyl)methyl]-1-methylpyrazolo[5,4-d]pyrimidin-4-one
CID 136542470

Frequently Asked Questions

What is the IUPAC name of 1-methyl-5-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]pyrazolo[5,4-d]pyrimidin-4-one?
The IUPAC name of 1-methyl-5-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]pyrazolo[5,4-d]pyrimidin-4-one (CID 166201258) is 1-methyl-5-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]pyrazolo[5,4-d]pyrimidin-4-one.
What is the SMILES notation for 1-methyl-5-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]pyrazolo[5,4-d]pyrimidin-4-one?
The canonical SMILES for 1-methyl-5-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]pyrazolo[5,4-d]pyrimidin-4-one is CC(C)Cc1noc(Cn2cnc3c(cnn3C)c2=O)n1.
What is the InChIKey of 1-methyl-5-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]pyrazolo[5,4-d]pyrimidin-4-one?
The InChIKey is AWEJIHAKRLQIKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N6O2/c1-8(2)4-10-16-11(21-17-10)6-19-7-14-12-9(13(19)20)5-15-18(12)3/h5,7-8H,4,6H2,1-3H3.
What are the key properties of 1-methyl-5-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]pyrazolo[5,4-d]pyrimidin-4-one?
1-methyl-5-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]pyrazolo[5,4-d]pyrimidin-4-one has a molecular weight of 288.31 g/mol, XLogP of 0.76, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-5-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]pyrazolo[5,4-d]pyrimidin-4-one is sourced from PubChem (CID 166201258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).