7-(oxan-4-yl)-4-oxo-6H-pyrazolo[5,1-c][1,2,4]triazine-3-carboxylic acid

C11H12N4O4 — CID 175125079

IUPAC7-(oxan-4-yl)-4-oxo-6H-pyrazolo[5,1-c][1,2,4]triazine-3-carboxylic acid
SMILESO=C(O)c1nnc2cc(C3CCOCC3)[nH]n2c1=O
InChIInChI=1S/C11H12N4O4/c16-10-9(11(17)18)13-12-8-5-7(14-15(8)10)6-1-3-19-4-2-6/h5-6,14H,1-4H2,(H,17,18)
InChIKeyLLPKVBZIJYWUPN-UHFFFAOYSA-N
MW264.24 g/mol
LogP0.01
Rot. Bonds2

About 7-(oxan-4-yl)-4-oxo-6H-pyrazolo[5,1-c][1,2,4]triazine-3-carboxylic acid

7-(oxan-4-yl)-4-oxo-6H-pyrazolo[5,1-c][1,2,4]triazine-3-carboxylic acid (PubChem CID 175125079) has the molecular formula C11H12N4O4 and a molecular weight of 264.24 g/mol. Its IUPAC name is 7-(oxan-4-yl)-4-oxo-6H-pyrazolo[5,1-c][1,2,4]triazine-3-carboxylic acid.

Molecular Properties

Compound Name7-(oxan-4-yl)-4-oxo-6H-pyrazolo[5,1-c][1,2,4]triazine-3-carboxylic acid
PubChem CID175125079
Molecular FormulaC11H12N4O4
Molecular Weight264.24 g/mol
Exact Mass264.09
IUPAC Name7-(oxan-4-yl)-4-oxo-6H-pyrazolo[5,1-c][1,2,4]triazine-3-carboxylic acid
SMILESO=C(O)c1nnc2cc(C3CCOCC3)[nH]n2c1=O
InChIInChI=1S/C11H12N4O4/c16-10-9(11(17)18)13-12-8-5-7(14-15(8)10)6-1-3-19-4-2-6/h5-6,14H,1-4H2,(H,17,18)
InChIKeyLLPKVBZIJYWUPN-UHFFFAOYSA-N
XLogP0.01
TPSA109.58 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.24
LogP ≤ 50.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-(oxan-4-yl)-4-oxo-6H-pyrazolo[5,1-c][1,2,4]triazine-3-carboxylic acid?
The IUPAC name of 7-(oxan-4-yl)-4-oxo-6H-pyrazolo[5,1-c][1,2,4]triazine-3-carboxylic acid (CID 175125079) is 7-(oxan-4-yl)-4-oxo-6H-pyrazolo[5,1-c][1,2,4]triazine-3-carboxylic acid.
What is the SMILES notation for 7-(oxan-4-yl)-4-oxo-6H-pyrazolo[5,1-c][1,2,4]triazine-3-carboxylic acid?
The canonical SMILES for 7-(oxan-4-yl)-4-oxo-6H-pyrazolo[5,1-c][1,2,4]triazine-3-carboxylic acid is O=C(O)c1nnc2cc(C3CCOCC3)[nH]n2c1=O.
What is the InChIKey of 7-(oxan-4-yl)-4-oxo-6H-pyrazolo[5,1-c][1,2,4]triazine-3-carboxylic acid?
The InChIKey is LLPKVBZIJYWUPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4O4/c16-10-9(11(17)18)13-12-8-5-7(14-15(8)10)6-1-3-19-4-2-6/h5-6,14H,1-4H2,(H,17,18).
What are the key properties of 7-(oxan-4-yl)-4-oxo-6H-pyrazolo[5,1-c][1,2,4]triazine-3-carboxylic acid?
7-(oxan-4-yl)-4-oxo-6H-pyrazolo[5,1-c][1,2,4]triazine-3-carboxylic acid has a molecular weight of 264.24 g/mol, XLogP of 0.01, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(oxan-4-yl)-4-oxo-6H-pyrazolo[5,1-c][1,2,4]triazine-3-carboxylic acid is sourced from PubChem (CID 175125079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).