3,6-dibromo-2,5-dihydropyrazolo[3,4-d]pyrimidin-4-one

C5H2Br2N4O — CID 135735530

IUPAC3,6-dibromo-2,5-dihydropyrazolo[3,4-d]pyrimidin-4-one
SMILESO=c1[nH]c(Br)nc2n[nH]c(Br)c12
InChIInChI=1S/C5H2Br2N4O/c6-2-1-3(11-10-2)8-5(7)9-4(1)12/h(H2,8,9,10,11,12)
InChIKeyAKEQDSBYNDZGKN-UHFFFAOYSA-N
MW293.91 g/mol
LogP1.17
Rot. Bonds

About 3,6-dibromo-2,5-dihydropyrazolo[3,4-d]pyrimidin-4-one

3,6-dibromo-2,5-dihydropyrazolo[3,4-d]pyrimidin-4-one (PubChem CID 135735530) has the molecular formula C5H2Br2N4O and a molecular weight of 293.91 g/mol. Its IUPAC name is 3,6-dibromo-2,5-dihydropyrazolo[3,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name3,6-dibromo-2,5-dihydropyrazolo[3,4-d]pyrimidin-4-one
PubChem CID135735530
Molecular FormulaC5H2Br2N4O
Molecular Weight293.91 g/mol
Exact Mass291.86
IUPAC Name3,6-dibromo-2,5-dihydropyrazolo[3,4-d]pyrimidin-4-one
SMILESO=c1[nH]c(Br)nc2n[nH]c(Br)c12
InChIInChI=1S/C5H2Br2N4O/c6-2-1-3(11-10-2)8-5(7)9-4(1)12/h(H2,8,9,10,11,12)
InChIKeyAKEQDSBYNDZGKN-UHFFFAOYSA-N
XLogP1.17
TPSA74.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.91
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3,6-dibromo-2,5-dihydropyrazolo[3,4-d]pyrimidin-4-one?
The IUPAC name of 3,6-dibromo-2,5-dihydropyrazolo[3,4-d]pyrimidin-4-one (CID 135735530) is 3,6-dibromo-2,5-dihydropyrazolo[3,4-d]pyrimidin-4-one.
What is the SMILES notation for 3,6-dibromo-2,5-dihydropyrazolo[3,4-d]pyrimidin-4-one?
The canonical SMILES for 3,6-dibromo-2,5-dihydropyrazolo[3,4-d]pyrimidin-4-one is O=c1[nH]c(Br)nc2n[nH]c(Br)c12.
What is the InChIKey of 3,6-dibromo-2,5-dihydropyrazolo[3,4-d]pyrimidin-4-one?
The InChIKey is AKEQDSBYNDZGKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H2Br2N4O/c6-2-1-3(11-10-2)8-5(7)9-4(1)12/h(H2,8,9,10,11,12).
What are the key properties of 3,6-dibromo-2,5-dihydropyrazolo[3,4-d]pyrimidin-4-one?
3,6-dibromo-2,5-dihydropyrazolo[3,4-d]pyrimidin-4-one has a molecular weight of 293.91 g/mol, XLogP of 1.17, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dibromo-2,5-dihydropyrazolo[3,4-d]pyrimidin-4-one is sourced from PubChem (CID 135735530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).