1,7-dihydropyrazolo[5,4-d]pyrimidine-4,6-dione

C5H4N4O2 — CID 135398752

IUPAC1,7-dihydropyrazolo[5,4-d]pyrimidine-4,6-dione
SMILESO=c1[nH]c(=O)c2cn[nH]c2[nH]1
InChIInChI=1S/C5H4N4O2/c10-4-2-1-6-9-3(2)7-5(11)8-4/h1H,(H3,6,7,8,9,10,11)
InChIKeyHXNFUBHNUDHIGC-UHFFFAOYSA-N
MW152.11 g/mol
LogP-1.06
Rot. Bonds

About 1,7-dihydropyrazolo[5,4-d]pyrimidine-4,6-dione

1,7-dihydropyrazolo[5,4-d]pyrimidine-4,6-dione (PubChem CID 135398752) has the molecular formula C5H4N4O2 and a molecular weight of 152.11 g/mol. Its IUPAC name is 1,7-dihydropyrazolo[5,4-d]pyrimidine-4,6-dione.

Molecular Properties

Compound Name1,7-dihydropyrazolo[5,4-d]pyrimidine-4,6-dione
PubChem CID135398752
Molecular FormulaC5H4N4O2
Molecular Weight152.11 g/mol
Exact Mass152.03
IUPAC Name1,7-dihydropyrazolo[5,4-d]pyrimidine-4,6-dione
SMILESO=c1[nH]c(=O)c2cn[nH]c2[nH]1
InChIInChI=1S/C5H4N4O2/c10-4-2-1-6-9-3(2)7-5(11)8-4/h1H,(H3,6,7,8,9,10,11)
InChIKeyHXNFUBHNUDHIGC-UHFFFAOYSA-N
XLogP-1.06
TPSA94.40 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.11
LogP ≤ 5-1.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-Hydroxy-6-mercaptopyrazolo(3,4-d)pyrimidine
CID 135474990
Happ
CID 135403386
4,9-Dimethyl-2,4,8,9-tetrazabicyclo[4.3.0]nona-1,6-diene-3,5-dione
CID 135426858
1H-pyrazolo[3,4-d]pyrimidine-4,6(5H,7H)-dione, 5,7-dimethyl-
CID 331886
5-ethyl-7-methyl-1H-pyrazolo[3,4-d]pyrimidine-4,6(5H,7H)-dione
CID 396525
6-hydrazinyl-1H,4H,5H-pyrazolo(3,4-d)pyrimidin-4-one
CID 135905161
5-Ethyl-6-sulfanylidene-1,7-dihydropyrazolo[5,4-d]pyrimidin-4-one
CID 135667593
thiazolo[4,5-d]pyrimidin-2(3H)-one, 7-amino-3-phenyl-
CID 641946
5-Formylamino-1H-pyrazole-4-carboxamide
CID 44819953
Oxypurinol hemihydrate
CID 136345592
2-fluoro-5-methyl-7H-pyrazolo[3,4-d]pyrimidine-4,6-dione
CID 155216821
2-fluoro-5-iodo-7H-pyrazolo[3,4-d]pyrimidine-4,6-dione
CID 163856805

Frequently Asked Questions

What is the IUPAC name of 1,7-dihydropyrazolo[5,4-d]pyrimidine-4,6-dione?
The IUPAC name of 1,7-dihydropyrazolo[5,4-d]pyrimidine-4,6-dione (CID 135398752) is 1,7-dihydropyrazolo[5,4-d]pyrimidine-4,6-dione.
What is the SMILES notation for 1,7-dihydropyrazolo[5,4-d]pyrimidine-4,6-dione?
The canonical SMILES for 1,7-dihydropyrazolo[5,4-d]pyrimidine-4,6-dione is O=c1[nH]c(=O)c2cn[nH]c2[nH]1.
What is the InChIKey of 1,7-dihydropyrazolo[5,4-d]pyrimidine-4,6-dione?
The InChIKey is HXNFUBHNUDHIGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4N4O2/c10-4-2-1-6-9-3(2)7-5(11)8-4/h1H,(H3,6,7,8,9,10,11).
What are the key properties of 1,7-dihydropyrazolo[5,4-d]pyrimidine-4,6-dione?
1,7-dihydropyrazolo[5,4-d]pyrimidine-4,6-dione has a molecular weight of 152.11 g/mol, XLogP of -1.06, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,7-dihydropyrazolo[5,4-d]pyrimidine-4,6-dione is sourced from PubChem (CID 135398752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).