1,5-dioxo-6H-pyrazolo[1,2-a][1,2,4]benzotriazine-2-carboxylic acid

C11H7N3O4 — CID 23467554

IUPAC1,5-dioxo-6H-pyrazolo[1,2-a][1,2,4]benzotriazine-2-carboxylic acid
SMILESO=C(O)c1cn2c(=O)[nH]c3ccccc3n2c1=O
InChIInChI=1S/C11H7N3O4/c15-9-6(10(16)17)5-13-11(18)12-7-3-1-2-4-8(7)14(9)13/h1-5H,(H,12,18)(H,16,17)
InChIKeyPLNAJZYCNRPBGN-UHFFFAOYSA-N
MW245.19 g/mol
LogP-0.06
Rot. Bonds1

About 1,5-dioxo-6H-pyrazolo[1,2-a][1,2,4]benzotriazine-2-carboxylic acid

1,5-dioxo-6H-pyrazolo[1,2-a][1,2,4]benzotriazine-2-carboxylic acid (PubChem CID 23467554) has the molecular formula C11H7N3O4 and a molecular weight of 245.19 g/mol. Its IUPAC name is 1,5-dioxo-6H-pyrazolo[1,2-a][1,2,4]benzotriazine-2-carboxylic acid.

Molecular Properties

Compound Name1,5-dioxo-6H-pyrazolo[1,2-a][1,2,4]benzotriazine-2-carboxylic acid
PubChem CID23467554
Molecular FormulaC11H7N3O4
Molecular Weight245.19 g/mol
Exact Mass245.04
IUPAC Name1,5-dioxo-6H-pyrazolo[1,2-a][1,2,4]benzotriazine-2-carboxylic acid
SMILESO=C(O)c1cn2c(=O)[nH]c3ccccc3n2c1=O
InChIInChI=1S/C11H7N3O4/c15-9-6(10(16)17)5-13-11(18)12-7-3-1-2-4-8(7)14(9)13/h1-5H,(H,12,18)(H,16,17)
InChIKeyPLNAJZYCNRPBGN-UHFFFAOYSA-N
XLogP-0.06
TPSA96.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.19
LogP ≤ 5-0.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1,5-dioxo-6H-pyrazolo[1,2-a][1,2,4]benzotriazine-2-carboxylic acid?
The IUPAC name of 1,5-dioxo-6H-pyrazolo[1,2-a][1,2,4]benzotriazine-2-carboxylic acid (CID 23467554) is 1,5-dioxo-6H-pyrazolo[1,2-a][1,2,4]benzotriazine-2-carboxylic acid.
What is the SMILES notation for 1,5-dioxo-6H-pyrazolo[1,2-a][1,2,4]benzotriazine-2-carboxylic acid?
The canonical SMILES for 1,5-dioxo-6H-pyrazolo[1,2-a][1,2,4]benzotriazine-2-carboxylic acid is O=C(O)c1cn2c(=O)[nH]c3ccccc3n2c1=O.
What is the InChIKey of 1,5-dioxo-6H-pyrazolo[1,2-a][1,2,4]benzotriazine-2-carboxylic acid?
The InChIKey is PLNAJZYCNRPBGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7N3O4/c15-9-6(10(16)17)5-13-11(18)12-7-3-1-2-4-8(7)14(9)13/h1-5H,(H,12,18)(H,16,17).
What are the key properties of 1,5-dioxo-6H-pyrazolo[1,2-a][1,2,4]benzotriazine-2-carboxylic acid?
1,5-dioxo-6H-pyrazolo[1,2-a][1,2,4]benzotriazine-2-carboxylic acid has a molecular weight of 245.19 g/mol, XLogP of -0.06, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-dioxo-6H-pyrazolo[1,2-a][1,2,4]benzotriazine-2-carboxylic acid is sourced from PubChem (CID 23467554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).