1-ethyl-7H-pyrazolo[4,5-b][1,4]oxazin-6-one

C7H9N3O2 — CID 139516341

IUPAC1-ethyl-7H-pyrazolo[4,5-b][1,4]oxazin-6-one
SMILESCCn1ncc2c1NC(=O)CO2
InChIInChI=1S/C7H9N3O2/c1-2-10-7-5(3-8-10)12-4-6(11)9-7/h3H,2,4H2,1H3,(H,9,11)
InChIKeyPOZKOBWWDCSHFZ-UHFFFAOYSA-N
MW167.17 g/mol
LogP0.23
Rot. Bonds1

About 1-ethyl-7H-pyrazolo[4,5-b][1,4]oxazin-6-one

1-ethyl-7H-pyrazolo[4,5-b][1,4]oxazin-6-one (PubChem CID 139516341) has the molecular formula C7H9N3O2 and a molecular weight of 167.17 g/mol. Its IUPAC name is 1-ethyl-7H-pyrazolo[4,5-b][1,4]oxazin-6-one.

Molecular Properties

Compound Name1-ethyl-7H-pyrazolo[4,5-b][1,4]oxazin-6-one
PubChem CID139516341
Molecular FormulaC7H9N3O2
Molecular Weight167.17 g/mol
Exact Mass167.07
IUPAC Name1-ethyl-7H-pyrazolo[4,5-b][1,4]oxazin-6-one
SMILESCCn1ncc2c1NC(=O)CO2
InChIInChI=1S/C7H9N3O2/c1-2-10-7-5(3-8-10)12-4-6(11)9-7/h3H,2,4H2,1H3,(H,9,11)
InChIKeyPOZKOBWWDCSHFZ-UHFFFAOYSA-N
XLogP0.23
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.17
LogP ≤ 50.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-7H-pyrazolo[4,5-b][1,4]oxazin-6-one?
The IUPAC name of 1-ethyl-7H-pyrazolo[4,5-b][1,4]oxazin-6-one (CID 139516341) is 1-ethyl-7H-pyrazolo[4,5-b][1,4]oxazin-6-one.
What is the SMILES notation for 1-ethyl-7H-pyrazolo[4,5-b][1,4]oxazin-6-one?
The canonical SMILES for 1-ethyl-7H-pyrazolo[4,5-b][1,4]oxazin-6-one is CCn1ncc2c1NC(=O)CO2.
What is the InChIKey of 1-ethyl-7H-pyrazolo[4,5-b][1,4]oxazin-6-one?
The InChIKey is POZKOBWWDCSHFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N3O2/c1-2-10-7-5(3-8-10)12-4-6(11)9-7/h3H,2,4H2,1H3,(H,9,11).
What are the key properties of 1-ethyl-7H-pyrazolo[4,5-b][1,4]oxazin-6-one?
1-ethyl-7H-pyrazolo[4,5-b][1,4]oxazin-6-one has a molecular weight of 167.17 g/mol, XLogP of 0.23, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-7H-pyrazolo[4,5-b][1,4]oxazin-6-one is sourced from PubChem (CID 139516341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).