3-propan-2-yl-2,5-dihydropyrazolo[3,4-d]pyrimidin-4-one

C8H10N4O — CID 136748563

IUPAC3-propan-2-yl-2,5-dihydropyrazolo[3,4-d]pyrimidin-4-one
SMILESCC(C)c1[nH]nc2nc[nH]c(=O)c12
InChIInChI=1S/C8H10N4O/c1-4(2)6-5-7(12-11-6)9-3-10-8(5)13/h3-4H,1-2H3,(H2,9,10,11,12,13)
InChIKeyPCGGDIQYYYTBQR-UHFFFAOYSA-N
MW178.19 g/mol
LogP0.77
Rot. Bonds1

About 3-propan-2-yl-2,5-dihydropyrazolo[3,4-d]pyrimidin-4-one

3-propan-2-yl-2,5-dihydropyrazolo[3,4-d]pyrimidin-4-one (PubChem CID 136748563) has the molecular formula C8H10N4O and a molecular weight of 178.19 g/mol. Its IUPAC name is 3-propan-2-yl-2,5-dihydropyrazolo[3,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name3-propan-2-yl-2,5-dihydropyrazolo[3,4-d]pyrimidin-4-one
PubChem CID136748563
Molecular FormulaC8H10N4O
Molecular Weight178.19 g/mol
Exact Mass178.09
IUPAC Name3-propan-2-yl-2,5-dihydropyrazolo[3,4-d]pyrimidin-4-one
SMILESCC(C)c1[nH]nc2nc[nH]c(=O)c12
InChIInChI=1S/C8H10N4O/c1-4(2)6-5-7(12-11-6)9-3-10-8(5)13/h3-4H,1-2H3,(H2,9,10,11,12,13)
InChIKeyPCGGDIQYYYTBQR-UHFFFAOYSA-N
XLogP0.77
TPSA74.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.19
LogP ≤ 50.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-methyl-1H-pyrazolo[3,4-d]pyrimidin-4-ol
CID 135780309
3-(2,2,2-Trifluoroethyl)-2,5-dihydropyrazolo[3,4-d]pyrimidin-4-one
CID 137106907
1-methyl-3-(2,2,2-trifluoroethyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 154574856
3-Amino-5-ethyl-1H-pyrazole-4-carboxamide
CID 45121456
3-amino-N-cyclopentyl-5-ethyl-1H-pyrazole-4-carboxamide
CID 53731276
3-amino-5-cyclohexyl-N-methyl-1H-pyrazole-4-carboxamide
CID 90729387
3-amino-N-methyl-5-propyl-1H-pyrazole-4-carboxamide
CID 91038562
3-Methyl-6-propan-2-yl-2,5-dihydropyrazolo[3,4-d]pyrimidin-4-one
CID 136310405
3-ethyl-1-(2-methylpyrrolidin-1-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 136354503
3-Ethyl-1H-pyrazolo[3,4-d]pyrimidin-4(5H)-one
CID 136364781
3-propyl-1H-pyrazolo[3,4-d]pyrimidin-4-ol
CID 136364797
3-Cyclohexyl-2,5-dihydropyrazolo[3,4-d]pyrimidin-4-one
CID 136409263

Frequently Asked Questions

What is the IUPAC name of 3-propan-2-yl-2,5-dihydropyrazolo[3,4-d]pyrimidin-4-one?
The IUPAC name of 3-propan-2-yl-2,5-dihydropyrazolo[3,4-d]pyrimidin-4-one (CID 136748563) is 3-propan-2-yl-2,5-dihydropyrazolo[3,4-d]pyrimidin-4-one.
What is the SMILES notation for 3-propan-2-yl-2,5-dihydropyrazolo[3,4-d]pyrimidin-4-one?
The canonical SMILES for 3-propan-2-yl-2,5-dihydropyrazolo[3,4-d]pyrimidin-4-one is CC(C)c1[nH]nc2nc[nH]c(=O)c12.
What is the InChIKey of 3-propan-2-yl-2,5-dihydropyrazolo[3,4-d]pyrimidin-4-one?
The InChIKey is PCGGDIQYYYTBQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N4O/c1-4(2)6-5-7(12-11-6)9-3-10-8(5)13/h3-4H,1-2H3,(H2,9,10,11,12,13).
What are the key properties of 3-propan-2-yl-2,5-dihydropyrazolo[3,4-d]pyrimidin-4-one?
3-propan-2-yl-2,5-dihydropyrazolo[3,4-d]pyrimidin-4-one has a molecular weight of 178.19 g/mol, XLogP of 0.77, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propan-2-yl-2,5-dihydropyrazolo[3,4-d]pyrimidin-4-one is sourced from PubChem (CID 136748563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).