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

C5H3BrN4O — CID 135493710

IUPAC3-bromo-2,5-dihydropyrazolo[3,4-d]pyrimidin-4-one
SMILESO=c1[nH]cnc2n[nH]c(Br)c12
InChIInChI=1S/C5H3BrN4O/c6-3-2-4(10-9-3)7-1-8-5(2)11/h1H,(H2,7,8,9,10,11)
InChIKeyKAHCKNUEZSETEP-UHFFFAOYSA-N
MW215.01 g/mol
LogP0.41
Rot. Bonds

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

3-bromo-2,5-dihydropyrazolo[3,4-d]pyrimidin-4-one (PubChem CID 135493710) has the molecular formula C5H3BrN4O and a molecular weight of 215.01 g/mol. Its IUPAC name is 3-bromo-2,5-dihydropyrazolo[3,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name3-bromo-2,5-dihydropyrazolo[3,4-d]pyrimidin-4-one
PubChem CID135493710
Molecular FormulaC5H3BrN4O
Molecular Weight215.01 g/mol
Exact Mass213.95
IUPAC Name3-bromo-2,5-dihydropyrazolo[3,4-d]pyrimidin-4-one
SMILESO=c1[nH]cnc2n[nH]c(Br)c12
InChIInChI=1S/C5H3BrN4O/c6-3-2-4(10-9-3)7-1-8-5(2)11/h1H,(H2,7,8,9,10,11)
InChIKeyKAHCKNUEZSETEP-UHFFFAOYSA-N
XLogP0.41
TPSA74.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.01
LogP ≤ 50.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3,6-Dibromopyrazolo[3,4-d]pyrimidin-4-one
CID 135735530
3-amino-1H,4H,5H-pyrazolo(3,4-d)pyrimidin-4-one
CID 136245846
3-Bromo-6-chloropyrazolo[3,4-d]pyrimidin-4-one
CID 135493779
3-bromo-1-methyl-1H,4H,5H-pyrazolo[3,4-d]pyrimidin-4-one
CID 135523800
3-bromo-5-methyl-1H,4H,5H-pyrazolo[3,4-d]pyrimidin-4-one
CID 15563727
3-Iodo-1H-pyrazolo[3,4-d]pyrimidin-4(5H)-one
CID 135568466
6-Amino-3-bromo-1H-pyrazolo[3,4-d]pyrimidin-4(5H)-one
CID 136154039
3-Bromo-1,5-dihydro-6-methyl-4H-pyrazolo[3,4-d]pyrimidin-4-one
CID 136748574
3-bromo-6-(trifluoromethyl)-1H-pyrazolo[3,4-d]pyrimidin-4-ol
CID 137148271
2,3-dibromo-5H-pyrazolo[3,4-d]pyrimidin-4-one
CID 136452426
3-iodo-5-methyl-2H-pyrazolo[3,4-d]pyrimidin-4-one
CID 156771466
5-bromo-3-(methylamino)-1H-pyrazole-4-carboxamide
CID 162380708

Frequently Asked Questions

What is the IUPAC name of 3-bromo-2,5-dihydropyrazolo[3,4-d]pyrimidin-4-one?
The IUPAC name of 3-bromo-2,5-dihydropyrazolo[3,4-d]pyrimidin-4-one (CID 135493710) is 3-bromo-2,5-dihydropyrazolo[3,4-d]pyrimidin-4-one.
What is the SMILES notation for 3-bromo-2,5-dihydropyrazolo[3,4-d]pyrimidin-4-one?
The canonical SMILES for 3-bromo-2,5-dihydropyrazolo[3,4-d]pyrimidin-4-one is O=c1[nH]cnc2n[nH]c(Br)c12.
What is the InChIKey of 3-bromo-2,5-dihydropyrazolo[3,4-d]pyrimidin-4-one?
The InChIKey is KAHCKNUEZSETEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H3BrN4O/c6-3-2-4(10-9-3)7-1-8-5(2)11/h1H,(H2,7,8,9,10,11).
What are the key properties of 3-bromo-2,5-dihydropyrazolo[3,4-d]pyrimidin-4-one?
3-bromo-2,5-dihydropyrazolo[3,4-d]pyrimidin-4-one has a molecular weight of 215.01 g/mol, XLogP of 0.41, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-2,5-dihydropyrazolo[3,4-d]pyrimidin-4-one is sourced from PubChem (CID 135493710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).