6-oxospiro[5H-pyridazino[3,4-b][1,4]oxazine-7,1'-cyclopropane]-3-carboxylic acid

C9H7N3O4 — CID 167003465

IUPAC6-oxospiro[5H-pyridazino[3,4-b][1,4]oxazine-7,1'-cyclopropane]-3-carboxylic acid
SMILESO=C(O)c1cc2c(nn1)OC1(CC1)C(=O)N2
InChIInChI=1S/C9H7N3O4/c13-7(14)5-3-4-6(12-11-5)16-9(1-2-9)8(15)10-4/h3H,1-2H2,(H,10,15)(H,13,14)
InChIKeyDOAMLTNIZRVVBW-UHFFFAOYSA-N
MW221.17 g/mol
LogP0.04
Rot. Bonds1

About 6-oxospiro[5H-pyridazino[3,4-b][1,4]oxazine-7,1'-cyclopropane]-3-carboxylic acid

6-oxospiro[5H-pyridazino[3,4-b][1,4]oxazine-7,1'-cyclopropane]-3-carboxylic acid (PubChem CID 167003465) has the molecular formula C9H7N3O4 and a molecular weight of 221.17 g/mol. Its IUPAC name is 6-oxospiro[5H-pyridazino[3,4-b][1,4]oxazine-7,1'-cyclopropane]-3-carboxylic acid.

Molecular Properties

Compound Name6-oxospiro[5H-pyridazino[3,4-b][1,4]oxazine-7,1'-cyclopropane]-3-carboxylic acid
PubChem CID167003465
Molecular FormulaC9H7N3O4
Molecular Weight221.17 g/mol
Exact Mass221.04
IUPAC Name6-oxospiro[5H-pyridazino[3,4-b][1,4]oxazine-7,1'-cyclopropane]-3-carboxylic acid
SMILESO=C(O)c1cc2c(nn1)OC1(CC1)C(=O)N2
InChIInChI=1S/C9H7N3O4/c13-7(14)5-3-4-6(12-11-5)16-9(1-2-9)8(15)10-4/h3H,1-2H2,(H,10,15)(H,13,14)
InChIKeyDOAMLTNIZRVVBW-UHFFFAOYSA-N
XLogP0.04
TPSA101.41 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.17
LogP ≤ 50.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-oxospiro[5H-pyridazino[3,4-b][1,4]oxazine-7,1'-cyclopropane]-3-carboxylic acid?
The IUPAC name of 6-oxospiro[5H-pyridazino[3,4-b][1,4]oxazine-7,1'-cyclopropane]-3-carboxylic acid (CID 167003465) is 6-oxospiro[5H-pyridazino[3,4-b][1,4]oxazine-7,1'-cyclopropane]-3-carboxylic acid.
What is the SMILES notation for 6-oxospiro[5H-pyridazino[3,4-b][1,4]oxazine-7,1'-cyclopropane]-3-carboxylic acid?
The canonical SMILES for 6-oxospiro[5H-pyridazino[3,4-b][1,4]oxazine-7,1'-cyclopropane]-3-carboxylic acid is O=C(O)c1cc2c(nn1)OC1(CC1)C(=O)N2.
What is the InChIKey of 6-oxospiro[5H-pyridazino[3,4-b][1,4]oxazine-7,1'-cyclopropane]-3-carboxylic acid?
The InChIKey is DOAMLTNIZRVVBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7N3O4/c13-7(14)5-3-4-6(12-11-5)16-9(1-2-9)8(15)10-4/h3H,1-2H2,(H,10,15)(H,13,14).
What are the key properties of 6-oxospiro[5H-pyridazino[3,4-b][1,4]oxazine-7,1'-cyclopropane]-3-carboxylic acid?
6-oxospiro[5H-pyridazino[3,4-b][1,4]oxazine-7,1'-cyclopropane]-3-carboxylic acid has a molecular weight of 221.17 g/mol, XLogP of 0.04, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-oxospiro[5H-pyridazino[3,4-b][1,4]oxazine-7,1'-cyclopropane]-3-carboxylic acid is sourced from PubChem (CID 167003465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).