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

C12H10N4O2 — CID 3087660

IUPAC6-(2-aminophenyl)-1-methylpyrazolo[5,4-d][1,3]oxazin-4-one
SMILESCn1ncc2c(=O)oc(-c3ccccc3N)nc21
InChIInChI=1S/C12H10N4O2/c1-16-10-8(6-14-16)12(17)18-11(15-10)7-4-2-3-5-9(7)13/h2-6H,13H2,1H3
InChIKeyFABSUUOLNUKNBK-UHFFFAOYSA-N
MW242.24 g/mol
LogP1.17
Rot. Bonds1

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

6-(2-aminophenyl)-1-methylpyrazolo[5,4-d][1,3]oxazin-4-one (PubChem CID 3087660) has the molecular formula C12H10N4O2 and a molecular weight of 242.24 g/mol. Its IUPAC name is 6-(2-aminophenyl)-1-methylpyrazolo[5,4-d][1,3]oxazin-4-one.

Molecular Properties

Compound Name6-(2-aminophenyl)-1-methylpyrazolo[5,4-d][1,3]oxazin-4-one
PubChem CID3087660
Molecular FormulaC12H10N4O2
Molecular Weight242.24 g/mol
Exact Mass242.08
IUPAC Name6-(2-aminophenyl)-1-methylpyrazolo[5,4-d][1,3]oxazin-4-one
SMILESCn1ncc2c(=O)oc(-c3ccccc3N)nc21
InChIInChI=1S/C12H10N4O2/c1-16-10-8(6-14-16)12(17)18-11(15-10)7-4-2-3-5-9(7)13/h2-6H,13H2,1H3
InChIKeyFABSUUOLNUKNBK-UHFFFAOYSA-N
XLogP1.17
TPSA86.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.24
LogP ≤ 51.17
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-methylpyrazolo[5,4-d][1,3]oxazin-4-one?
The IUPAC name of 6-(2-aminophenyl)-1-methylpyrazolo[5,4-d][1,3]oxazin-4-one (CID 3087660) is 6-(2-aminophenyl)-1-methylpyrazolo[5,4-d][1,3]oxazin-4-one.
What is the SMILES notation for 6-(2-aminophenyl)-1-methylpyrazolo[5,4-d][1,3]oxazin-4-one?
The canonical SMILES for 6-(2-aminophenyl)-1-methylpyrazolo[5,4-d][1,3]oxazin-4-one is Cn1ncc2c(=O)oc(-c3ccccc3N)nc21.
What is the InChIKey of 6-(2-aminophenyl)-1-methylpyrazolo[5,4-d][1,3]oxazin-4-one?
The InChIKey is FABSUUOLNUKNBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N4O2/c1-16-10-8(6-14-16)12(17)18-11(15-10)7-4-2-3-5-9(7)13/h2-6H,13H2,1H3.
What are the key properties of 6-(2-aminophenyl)-1-methylpyrazolo[5,4-d][1,3]oxazin-4-one?
6-(2-aminophenyl)-1-methylpyrazolo[5,4-d][1,3]oxazin-4-one has a molecular weight of 242.24 g/mol, XLogP of 1.17, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-aminophenyl)-1-methylpyrazolo[5,4-d][1,3]oxazin-4-one is sourced from PubChem (CID 3087660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).