7-phenyl-1H-pyrazolo[1,5-a][1,3,5]triazine-2,4-dione

C11H8N4O2 — CID 135536120

IUPAC7-phenyl-1H-pyrazolo[1,5-a][1,3,5]triazine-2,4-dione
SMILESO=c1[nH]c(=O)n2nc(-c3ccccc3)cc2[nH]1
InChIInChI=1S/C11H8N4O2/c16-10-12-9-6-8(7-4-2-1-3-5-7)14-15(9)11(17)13-10/h1-6H,(H2,12,13,16,17)
InChIKeyRZVVOKHTDYYDJP-UHFFFAOYSA-N
MW228.21 g/mol
LogP0.38
Rot. Bonds1

About 7-phenyl-1H-pyrazolo[1,5-a][1,3,5]triazine-2,4-dione

7-phenyl-1H-pyrazolo[1,5-a][1,3,5]triazine-2,4-dione (PubChem CID 135536120) has the molecular formula C11H8N4O2 and a molecular weight of 228.21 g/mol. Its IUPAC name is 7-phenyl-1H-pyrazolo[1,5-a][1,3,5]triazine-2,4-dione.

Molecular Properties

Compound Name7-phenyl-1H-pyrazolo[1,5-a][1,3,5]triazine-2,4-dione
PubChem CID135536120
Molecular FormulaC11H8N4O2
Molecular Weight228.21 g/mol
Exact Mass228.06
IUPAC Name7-phenyl-1H-pyrazolo[1,5-a][1,3,5]triazine-2,4-dione
SMILESO=c1[nH]c(=O)n2nc(-c3ccccc3)cc2[nH]1
InChIInChI=1S/C11H8N4O2/c16-10-12-9-6-8(7-4-2-1-3-5-7)14-15(9)11(17)13-10/h1-6H,(H2,12,13,16,17)
InChIKeyRZVVOKHTDYYDJP-UHFFFAOYSA-N
XLogP0.38
TPSA83.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.21
LogP ≤ 50.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-phenyl-1H-pyrazolo[1,5-a][1,3,5]triazine-2,4-dione?
The IUPAC name of 7-phenyl-1H-pyrazolo[1,5-a][1,3,5]triazine-2,4-dione (CID 135536120) is 7-phenyl-1H-pyrazolo[1,5-a][1,3,5]triazine-2,4-dione.
What is the SMILES notation for 7-phenyl-1H-pyrazolo[1,5-a][1,3,5]triazine-2,4-dione?
The canonical SMILES for 7-phenyl-1H-pyrazolo[1,5-a][1,3,5]triazine-2,4-dione is O=c1[nH]c(=O)n2nc(-c3ccccc3)cc2[nH]1.
What is the InChIKey of 7-phenyl-1H-pyrazolo[1,5-a][1,3,5]triazine-2,4-dione?
The InChIKey is RZVVOKHTDYYDJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8N4O2/c16-10-12-9-6-8(7-4-2-1-3-5-7)14-15(9)11(17)13-10/h1-6H,(H2,12,13,16,17).
What are the key properties of 7-phenyl-1H-pyrazolo[1,5-a][1,3,5]triazine-2,4-dione?
7-phenyl-1H-pyrazolo[1,5-a][1,3,5]triazine-2,4-dione has a molecular weight of 228.21 g/mol, XLogP of 0.38, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-phenyl-1H-pyrazolo[1,5-a][1,3,5]triazine-2,4-dione is sourced from PubChem (CID 135536120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).