1-(5-nitrofuran-2-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one

C9H5N5O4 — CID 163752551

IUPAC1-(5-nitrofuran-2-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one
SMILESO=c1[nH]cnc2c1cnn2-c1ccc([N+](=O)[O-])o1
InChIInChI=1S/C9H5N5O4/c15-9-5-3-12-13(8(5)10-4-11-9)6-1-2-7(18-6)14(16)17/h1-4H,(H,10,11,15)
InChIKeyLRFUHRVHVPFBTC-UHFFFAOYSA-N
MW247.17 g/mol
LogP0.61
Rot. Bonds2

About 1-(5-nitrofuran-2-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one

1-(5-nitrofuran-2-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one (PubChem CID 163752551) has the molecular formula C9H5N5O4 and a molecular weight of 247.17 g/mol. Its IUPAC name is 1-(5-nitrofuran-2-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name1-(5-nitrofuran-2-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one
PubChem CID163752551
Molecular FormulaC9H5N5O4
Molecular Weight247.17 g/mol
Exact Mass247.03
IUPAC Name1-(5-nitrofuran-2-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one
SMILESO=c1[nH]cnc2c1cnn2-c1ccc([N+](=O)[O-])o1
InChIInChI=1S/C9H5N5O4/c15-9-5-3-12-13(8(5)10-4-11-9)6-1-2-7(18-6)14(16)17/h1-4H,(H,10,11,15)
InChIKeyLRFUHRVHVPFBTC-UHFFFAOYSA-N
XLogP0.61
TPSA119.85 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.17
LogP ≤ 50.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 135408735
1-[2-[(6-nitro-1,3-benzoxazol-2-yl)methylsulfanyl]phenyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 166783581
1-(5-bromo-3-pyridinyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 136992687
1-(5-nitrofuran-2-yl)imidazolidin-2-one
CID 12998976
1-tert-butyl-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 135876286
1-[2-(1,3-benzoxazol-2-ylmethylsulfanyl)phenyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 175492754
1-propanoyl-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 135412639
cis-(1S,2R)-2-methyl-N-[4-(4-oxo-5H-pyrazolo[5,4-d]pyrimidin-1-yl)phenyl]cyclopropane-1-carboxamide
CID 136789630
6-nitro-3H-pyrido[2,3-d]pyrimidin-4-one
CID 137302564
1-(5-nitrofuran-2-yl)piperidine
CID 134976034
(Z)-4,4,4-trifluoro-N-[2-(4-oxo-5H-pyrazolo[5,4-d]pyrimidin-1-yl)phenyl]-3-phenylbut-2-enamide
CID 137296764
4,7-dinitro-1H-benzimidazole
CID 119091833

Frequently Asked Questions

What is the IUPAC name of 1-(5-nitrofuran-2-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one?
The IUPAC name of 1-(5-nitrofuran-2-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one (CID 163752551) is 1-(5-nitrofuran-2-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one.
What is the SMILES notation for 1-(5-nitrofuran-2-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one?
The canonical SMILES for 1-(5-nitrofuran-2-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one is O=c1[nH]cnc2c1cnn2-c1ccc([N+](=O)[O-])o1.
What is the InChIKey of 1-(5-nitrofuran-2-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one?
The InChIKey is LRFUHRVHVPFBTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5N5O4/c15-9-5-3-12-13(8(5)10-4-11-9)6-1-2-7(18-6)14(16)17/h1-4H,(H,10,11,15).
What are the key properties of 1-(5-nitrofuran-2-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one?
1-(5-nitrofuran-2-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one has a molecular weight of 247.17 g/mol, XLogP of 0.61, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-nitrofuran-2-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one is sourced from PubChem (CID 163752551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).