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

C12H8ClN3O2 — CID 3071661

IUPAC6-(2-chlorophenyl)-1-methylpyrazolo[5,4-d][1,3]oxazin-4-one
SMILESCn1ncc2c(=O)oc(-c3ccccc3Cl)nc21
InChIInChI=1S/C12H8ClN3O2/c1-16-10-8(6-14-16)12(17)18-11(15-10)7-4-2-3-5-9(7)13/h2-6H,1H3
InChIKeyZOUGVSJRACYZCD-UHFFFAOYSA-N
MW261.67 g/mol
LogP2.24
Rot. Bonds1

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

6-(2-chlorophenyl)-1-methylpyrazolo[5,4-d][1,3]oxazin-4-one (PubChem CID 3071661) has the molecular formula C12H8ClN3O2 and a molecular weight of 261.67 g/mol. Its IUPAC name is 6-(2-chlorophenyl)-1-methylpyrazolo[5,4-d][1,3]oxazin-4-one.

Molecular Properties

Compound Name6-(2-chlorophenyl)-1-methylpyrazolo[5,4-d][1,3]oxazin-4-one
PubChem CID3071661
Molecular FormulaC12H8ClN3O2
Molecular Weight261.67 g/mol
Exact Mass261.03
IUPAC Name6-(2-chlorophenyl)-1-methylpyrazolo[5,4-d][1,3]oxazin-4-one
SMILESCn1ncc2c(=O)oc(-c3ccccc3Cl)nc21
InChIInChI=1S/C12H8ClN3O2/c1-16-10-8(6-14-16)12(17)18-11(15-10)7-4-2-3-5-9(7)13/h2-6H,1H3
InChIKeyZOUGVSJRACYZCD-UHFFFAOYSA-N
XLogP2.24
TPSA60.92 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.67
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(2-chlorophenyl)-1-methylpyrazolo[5,4-d][1,3]oxazin-4-one?
The IUPAC name of 6-(2-chlorophenyl)-1-methylpyrazolo[5,4-d][1,3]oxazin-4-one (CID 3071661) is 6-(2-chlorophenyl)-1-methylpyrazolo[5,4-d][1,3]oxazin-4-one.
What is the SMILES notation for 6-(2-chlorophenyl)-1-methylpyrazolo[5,4-d][1,3]oxazin-4-one?
The canonical SMILES for 6-(2-chlorophenyl)-1-methylpyrazolo[5,4-d][1,3]oxazin-4-one is Cn1ncc2c(=O)oc(-c3ccccc3Cl)nc21.
What is the InChIKey of 6-(2-chlorophenyl)-1-methylpyrazolo[5,4-d][1,3]oxazin-4-one?
The InChIKey is ZOUGVSJRACYZCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8ClN3O2/c1-16-10-8(6-14-16)12(17)18-11(15-10)7-4-2-3-5-9(7)13/h2-6H,1H3.
What are the key properties of 6-(2-chlorophenyl)-1-methylpyrazolo[5,4-d][1,3]oxazin-4-one?
6-(2-chlorophenyl)-1-methylpyrazolo[5,4-d][1,3]oxazin-4-one has a molecular weight of 261.67 g/mol, XLogP of 2.24, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-chlorophenyl)-1-methylpyrazolo[5,4-d][1,3]oxazin-4-one is sourced from PubChem (CID 3071661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).