6-(2-aminophenyl)-1-phenylpyrazolo[5,4-d][1,3]oxazin-4-one

C17H12N4O2 — CID 3087662

IUPAC6-(2-aminophenyl)-1-phenylpyrazolo[5,4-d][1,3]oxazin-4-one
SMILESNc1ccccc1-c1nc2c(cnn2-c2ccccc2)c(=O)o1
InChIInChI=1S/C17H12N4O2/c18-14-9-5-4-8-12(14)16-20-15-13(17(22)23-16)10-19-21(15)11-6-2-1-3-7-11/h1-10H,18H2
InChIKeyFWPYALQGXGGLJC-UHFFFAOYSA-N
MW304.31 g/mol
LogP2.62
Rot. Bonds2

About 6-(2-aminophenyl)-1-phenylpyrazolo[5,4-d][1,3]oxazin-4-one

6-(2-aminophenyl)-1-phenylpyrazolo[5,4-d][1,3]oxazin-4-one (PubChem CID 3087662) has the molecular formula C17H12N4O2 and a molecular weight of 304.31 g/mol. Its IUPAC name is 6-(2-aminophenyl)-1-phenylpyrazolo[5,4-d][1,3]oxazin-4-one.

Molecular Properties

Compound Name6-(2-aminophenyl)-1-phenylpyrazolo[5,4-d][1,3]oxazin-4-one
PubChem CID3087662
Molecular FormulaC17H12N4O2
Molecular Weight304.31 g/mol
Exact Mass304.10
IUPAC Name6-(2-aminophenyl)-1-phenylpyrazolo[5,4-d][1,3]oxazin-4-one
SMILESNc1ccccc1-c1nc2c(cnn2-c2ccccc2)c(=O)o1
InChIInChI=1S/C17H12N4O2/c18-14-9-5-4-8-12(14)16-20-15-13(17(22)23-16)10-19-21(15)11-6-2-1-3-7-11/h1-10H,18H2
InChIKeyFWPYALQGXGGLJC-UHFFFAOYSA-N
XLogP2.62
TPSA86.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.31
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-(2-aminophenyl)-1-phenylpyrazolo[5,4-d][1,3]oxazin-4-one?
The IUPAC name of 6-(2-aminophenyl)-1-phenylpyrazolo[5,4-d][1,3]oxazin-4-one (CID 3087662) is 6-(2-aminophenyl)-1-phenylpyrazolo[5,4-d][1,3]oxazin-4-one.
What is the SMILES notation for 6-(2-aminophenyl)-1-phenylpyrazolo[5,4-d][1,3]oxazin-4-one?
The canonical SMILES for 6-(2-aminophenyl)-1-phenylpyrazolo[5,4-d][1,3]oxazin-4-one is Nc1ccccc1-c1nc2c(cnn2-c2ccccc2)c(=O)o1.
What is the InChIKey of 6-(2-aminophenyl)-1-phenylpyrazolo[5,4-d][1,3]oxazin-4-one?
The InChIKey is FWPYALQGXGGLJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12N4O2/c18-14-9-5-4-8-12(14)16-20-15-13(17(22)23-16)10-19-21(15)11-6-2-1-3-7-11/h1-10H,18H2.
What are the key properties of 6-(2-aminophenyl)-1-phenylpyrazolo[5,4-d][1,3]oxazin-4-one?
6-(2-aminophenyl)-1-phenylpyrazolo[5,4-d][1,3]oxazin-4-one has a molecular weight of 304.31 g/mol, XLogP of 2.62, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-aminophenyl)-1-phenylpyrazolo[5,4-d][1,3]oxazin-4-one is sourced from PubChem (CID 3087662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).