1-(1,3-dioxol-4-yl)-2H-pyrazolo[3,4-d]pyrimidin-3-one

C8H6N4O3 — CID 134501465

IUPAC1-(1,3-dioxol-4-yl)-2H-pyrazolo[3,4-d]pyrimidin-3-one
SMILESO=c1[nH]n(C2=COCO2)c2ncncc12
InChIInChI=1S/C8H6N4O3/c13-8-5-1-9-3-10-7(5)12(11-8)6-2-14-4-15-6/h1-3H,4H2,(H,11,13)
InChIKeyYVOFHOKWACDYJU-UHFFFAOYSA-N
MW206.16 g/mol
LogP-0.12
Rot. Bonds1

About 1-(1,3-dioxol-4-yl)-2H-pyrazolo[3,4-d]pyrimidin-3-one

1-(1,3-dioxol-4-yl)-2H-pyrazolo[3,4-d]pyrimidin-3-one (PubChem CID 134501465) has the molecular formula C8H6N4O3 and a molecular weight of 206.16 g/mol. Its IUPAC name is 1-(1,3-dioxol-4-yl)-2H-pyrazolo[3,4-d]pyrimidin-3-one.

Molecular Properties

Compound Name1-(1,3-dioxol-4-yl)-2H-pyrazolo[3,4-d]pyrimidin-3-one
PubChem CID134501465
Molecular FormulaC8H6N4O3
Molecular Weight206.16 g/mol
Exact Mass206.04
IUPAC Name1-(1,3-dioxol-4-yl)-2H-pyrazolo[3,4-d]pyrimidin-3-one
SMILESO=c1[nH]n(C2=COCO2)c2ncncc12
InChIInChI=1S/C8H6N4O3/c13-8-5-1-9-3-10-7(5)12(11-8)6-2-14-4-15-6/h1-3H,4H2,(H,11,13)
InChIKeyYVOFHOKWACDYJU-UHFFFAOYSA-N
XLogP-0.12
TPSA82.03 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.16
LogP ≤ 5-0.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-methyl-2H-pyrazolo[3,4-d]pyrimidin-3-one
CID 45080232
4-methyl-3,6,7,11,13-pentazatricyclo[7.4.0.02,6]trideca-1(13),2,4,9,11-pentaen-8-one
CID 175763201
2-methyl-1H-pyrazolo[3,4-d]pyrimidin-3-one
CID 143285060
1-(2-oxo-[1,3]oxazolo[4,5-d]pyrimidin-3-yl)-3-azabicyclo[3.1.1]heptane-2,4-dione
CID 167253598
3-chloro-1-(oxan-2-yl)pyrazolo[3,4-d]pyrimidine
CID 141132128
7-methylpyrrolo[2,3-d]pyrimidin-5-amine
CID 82375489
1-methyl-6-methylsulfinyl-2H-pyrazolo[3,4-d]pyrimidin-3-one
CID 141187631
1-(1H-pyrazol-5-yl)-6-(1,2,3,4-tetrahydroisoquinolin-6-ylamino)-2H-pyrazolo[3,4-d]pyrimidin-3-one
CID 175886097
9-(oxan-4-yl)-7H-purin-8-one
CID 71061782
1-methyl-5-nitro-2H-pyrazolo[3,4-b]pyridin-3-one
CID 67989684
8-[4-(pyrrolidin-1-ylmethyl)phenyl]-3,4,8,10,12-pentazatricyclo[7.4.0.02,6]trideca-1(13),2(6),4,9,11-pentaen-7-one
CID 140653220
9-pyrrol-1-yl-7H-purin-8-one
CID 174485391

Frequently Asked Questions

What is the IUPAC name of 1-(1,3-dioxol-4-yl)-2H-pyrazolo[3,4-d]pyrimidin-3-one?
The IUPAC name of 1-(1,3-dioxol-4-yl)-2H-pyrazolo[3,4-d]pyrimidin-3-one (CID 134501465) is 1-(1,3-dioxol-4-yl)-2H-pyrazolo[3,4-d]pyrimidin-3-one.
What is the SMILES notation for 1-(1,3-dioxol-4-yl)-2H-pyrazolo[3,4-d]pyrimidin-3-one?
The canonical SMILES for 1-(1,3-dioxol-4-yl)-2H-pyrazolo[3,4-d]pyrimidin-3-one is O=c1[nH]n(C2=COCO2)c2ncncc12.
What is the InChIKey of 1-(1,3-dioxol-4-yl)-2H-pyrazolo[3,4-d]pyrimidin-3-one?
The InChIKey is YVOFHOKWACDYJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6N4O3/c13-8-5-1-9-3-10-7(5)12(11-8)6-2-14-4-15-6/h1-3H,4H2,(H,11,13).
What are the key properties of 1-(1,3-dioxol-4-yl)-2H-pyrazolo[3,4-d]pyrimidin-3-one?
1-(1,3-dioxol-4-yl)-2H-pyrazolo[3,4-d]pyrimidin-3-one has a molecular weight of 206.16 g/mol, XLogP of -0.12, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-dioxol-4-yl)-2H-pyrazolo[3,4-d]pyrimidin-3-one is sourced from PubChem (CID 134501465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).