1,5-dimethyl-4,6-dioxo-7H-pyrazolo[5,4-d]pyrimidine-3-carboxylic acid

C8H8N4O4 — CID 135402395

IUPAC1,5-dimethyl-4,6-dioxo-7H-pyrazolo[5,4-d]pyrimidine-3-carboxylic acid
SMILESCn1c(=O)[nH]c2c(c(C(=O)O)nn2C)c1=O
InChIInChI=1S/C8H8N4O4/c1-11-6(13)3-4(7(14)15)10-12(2)5(3)9-8(11)16/h1-2H3,(H,9,16)(H,14,15)
InChIKeyDNUCIABVTYPFMR-UHFFFAOYSA-N
MW224.18 g/mol
LogP-1.34
Rot. Bonds1

About 1,5-dimethyl-4,6-dioxo-7H-pyrazolo[5,4-d]pyrimidine-3-carboxylic acid

1,5-dimethyl-4,6-dioxo-7H-pyrazolo[5,4-d]pyrimidine-3-carboxylic acid (PubChem CID 135402395) has the molecular formula C8H8N4O4 and a molecular weight of 224.18 g/mol. Its IUPAC name is 1,5-dimethyl-4,6-dioxo-7H-pyrazolo[5,4-d]pyrimidine-3-carboxylic acid.

Molecular Properties

Compound Name1,5-dimethyl-4,6-dioxo-7H-pyrazolo[5,4-d]pyrimidine-3-carboxylic acid
PubChem CID135402395
Molecular FormulaC8H8N4O4
Molecular Weight224.18 g/mol
Exact Mass224.05
IUPAC Name1,5-dimethyl-4,6-dioxo-7H-pyrazolo[5,4-d]pyrimidine-3-carboxylic acid
SMILESCn1c(=O)[nH]c2c(c(C(=O)O)nn2C)c1=O
InChIInChI=1S/C8H8N4O4/c1-11-6(13)3-4(7(14)15)10-12(2)5(3)9-8(11)16/h1-2H3,(H,9,16)(H,14,15)
InChIKeyDNUCIABVTYPFMR-UHFFFAOYSA-N
XLogP-1.34
TPSA109.98 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.18
LogP ≤ 5-1.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 1,5-dimethyl-4,6-dioxo-7H-pyrazolo[5,4-d]pyrimidine-3-carboxylic acid with MolForge

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Related Compounds

1-methyl-9-(1-methyl-2,6-dioxo-3H-purin-9-yl)-3H-purine-2,6-dione
CID 57143620
1,3-dimethyl-2,4,7-trioxo-8H-pteridine-6-carboxylic acid
CID 822327
1,5-dimethyl-7H-pyrazolo[5,4-d]pyrimidine-4,6-dione
CID 135426858
1,6-dimethyl-4-oxo-3-propan-2-yl-8H-pyrimido[5,4-e][1,2,4]triazin-4-ium-5,7-dione
CID 90820640
1-methyl-2,4,6-trioxo-5H-pteridine-7-carboxylic acid
CID 23422189
3-methyl-6-(methylamino)-2,4-dioxo-1H-pyrimidine-5-carboxylic acid
CID 66988333
2-(3-methyl-2,4-dioxo-1H-thieno[2,3-d]pyrimidin-5-yl)acetic acid
CID 70848586
1,5-dimethylpyrazole-3,4-dicarboxylic acid
CID 10559376
9-(3-hydroxypropyl)-1-methyl-8-phenyl-3H-purine-2,6-dione
CID 10979495
4-(2-hydroxyethyl)-3-methyl-2-oxo-1H-imidazole-5-carboxylic acid
CID 117225077
4-iodo-1-methylpyrazole-3,5-dicarboxylic acid
CID 12563626
4-chloro-5-fluoro-1-methylpyrazole-3-carboxylic acid
CID 170913368

Frequently Asked Questions

What is the IUPAC name of 1,5-dimethyl-4,6-dioxo-7H-pyrazolo[5,4-d]pyrimidine-3-carboxylic acid?
The IUPAC name of 1,5-dimethyl-4,6-dioxo-7H-pyrazolo[5,4-d]pyrimidine-3-carboxylic acid (CID 135402395) is 1,5-dimethyl-4,6-dioxo-7H-pyrazolo[5,4-d]pyrimidine-3-carboxylic acid.
What is the SMILES notation for 1,5-dimethyl-4,6-dioxo-7H-pyrazolo[5,4-d]pyrimidine-3-carboxylic acid?
The canonical SMILES for 1,5-dimethyl-4,6-dioxo-7H-pyrazolo[5,4-d]pyrimidine-3-carboxylic acid is Cn1c(=O)[nH]c2c(c(C(=O)O)nn2C)c1=O.
What is the InChIKey of 1,5-dimethyl-4,6-dioxo-7H-pyrazolo[5,4-d]pyrimidine-3-carboxylic acid?
The InChIKey is DNUCIABVTYPFMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N4O4/c1-11-6(13)3-4(7(14)15)10-12(2)5(3)9-8(11)16/h1-2H3,(H,9,16)(H,14,15).
What are the key properties of 1,5-dimethyl-4,6-dioxo-7H-pyrazolo[5,4-d]pyrimidine-3-carboxylic acid?
1,5-dimethyl-4,6-dioxo-7H-pyrazolo[5,4-d]pyrimidine-3-carboxylic acid has a molecular weight of 224.18 g/mol, XLogP of -1.34, 1 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-dimethyl-4,6-dioxo-7H-pyrazolo[5,4-d]pyrimidine-3-carboxylic acid is sourced from PubChem (CID 135402395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).