5-amino-1-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrazolo[5,4-d]pyrimidin-4-one

C13H11N5O3 — CID 97036104

IUPAC5-amino-1-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrazolo[5,4-d]pyrimidin-4-one
SMILESNn1cnc2c(cnn2-c2ccc3c(c2)OCCO3)c1=O
InChIInChI=1S/C13H11N5O3/c14-17-7-15-12-9(13(17)19)6-16-18(12)8-1-2-10-11(5-8)21-4-3-20-10/h1-2,5-7H,3-4,14H2
InChIKeyBVZQHRIYWTTWCP-UHFFFAOYSA-N
MW285.26 g/mol
LogP0.07
Rot. Bonds1

About 5-amino-1-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrazolo[5,4-d]pyrimidin-4-one

5-amino-1-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrazolo[5,4-d]pyrimidin-4-one (PubChem CID 97036104) has the molecular formula C13H11N5O3 and a molecular weight of 285.26 g/mol. Its IUPAC name is 5-amino-1-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrazolo[5,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name5-amino-1-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrazolo[5,4-d]pyrimidin-4-one
PubChem CID97036104
Molecular FormulaC13H11N5O3
Molecular Weight285.26 g/mol
Exact Mass285.09
IUPAC Name5-amino-1-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrazolo[5,4-d]pyrimidin-4-one
SMILESNn1cnc2c(cnn2-c2ccc3c(c2)OCCO3)c1=O
InChIInChI=1S/C13H11N5O3/c14-17-7-15-12-9(13(17)19)6-16-18(12)8-1-2-10-11(5-8)21-4-3-20-10/h1-2,5-7H,3-4,14H2
InChIKeyBVZQHRIYWTTWCP-UHFFFAOYSA-N
XLogP0.07
TPSA97.19 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.26
LogP ≤ 50.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

3-amino-7,8-dihydro-[1,4]dioxino[2,3-g]quinazolin-4-one
CID 121215575
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(4-oxo-1-phenylpyrazolo[5,4-d]pyrimidin-5-yl)propanamide
CID 16882448
N-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoyl)-2-[1-(3,5-dimethylphenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]acetamide
CID 30693957
5-[[1-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)-4-hydroxypiperidin-4-yl]methyl]-1-(4-fluorophenyl)pyrazolo[5,4-d]pyrimidin-4-one
CID 121437006
N-(1,3-benzodioxol-5-ylmethyl)-2-[1-(3,4-dimethylphenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]acetamide
CID 16798538
5-[2-[(2S)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidin-1-yl]-2-oxoethyl]-1-phenylpyrazolo[5,4-d]pyrimidin-4-one
CID 39952519
N-(1,3-benzodioxol-5-yl)-3-(4-oxo-1-phenylpyrazolo[5,4-d]pyrimidin-5-yl)propanamide
CID 16882447
(10E)-10-(2,3-dihydro-1,4-benzodioxin-6-ylmethylidene)-6-phenyl-1,5,6,8-tetrazatricyclo[7.3.0.03,7]dodeca-3(7),4,8-trien-2-one
CID 163363433
6-cyclopropyl-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyridazin-3-one
CID 175857279
1-(1,3-benzodioxol-5-yl)pyrazolo[5,4-b]pyridin-3-amine
CID 121004245
4-imino-1-(4-methylphenyl)pyrazolo[5,4-d]pyrimidin-5-amine
CID 98469428
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[6-(4-methylphenyl)-2-oxo-10-thia-1,5,6,8-tetrazatricyclo[7.3.0.03,7]dodeca-3(7),4,8-trien-12-yl]acetamide
CID 16861021

Frequently Asked Questions

What is the IUPAC name of 5-amino-1-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrazolo[5,4-d]pyrimidin-4-one?
The IUPAC name of 5-amino-1-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrazolo[5,4-d]pyrimidin-4-one (CID 97036104) is 5-amino-1-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrazolo[5,4-d]pyrimidin-4-one.
What is the SMILES notation for 5-amino-1-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrazolo[5,4-d]pyrimidin-4-one?
The canonical SMILES for 5-amino-1-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrazolo[5,4-d]pyrimidin-4-one is Nn1cnc2c(cnn2-c2ccc3c(c2)OCCO3)c1=O.
What is the InChIKey of 5-amino-1-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrazolo[5,4-d]pyrimidin-4-one?
The InChIKey is BVZQHRIYWTTWCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N5O3/c14-17-7-15-12-9(13(17)19)6-16-18(12)8-1-2-10-11(5-8)21-4-3-20-10/h1-2,5-7H,3-4,14H2.
What are the key properties of 5-amino-1-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrazolo[5,4-d]pyrimidin-4-one?
5-amino-1-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrazolo[5,4-d]pyrimidin-4-one has a molecular weight of 285.26 g/mol, XLogP of 0.07, 1 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-1-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrazolo[5,4-d]pyrimidin-4-one is sourced from PubChem (CID 97036104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).