2-phenyl-5H-pyrazolo[1,5-d][1,2,4]triazin-4-one

C11H8N4O — CID 3077676

IUPAC2-phenyl-5H-pyrazolo[1,5-d][1,2,4]triazin-4-one
SMILESO=c1[nH]ncn2nc(-c3ccccc3)cc12
InChIInChI=1S/C11H8N4O/c16-11-10-6-9(8-4-2-1-3-5-8)14-15(10)7-12-13-11/h1-7H,(H,13,16)
InChIKeyBLJSLKIFQXRXSE-UHFFFAOYSA-N
MW212.21 g/mol
LogP1.08
Rot. Bonds1

About 2-phenyl-5H-pyrazolo[1,5-d][1,2,4]triazin-4-one

2-phenyl-5H-pyrazolo[1,5-d][1,2,4]triazin-4-one (PubChem CID 3077676) has the molecular formula C11H8N4O and a molecular weight of 212.21 g/mol. Its IUPAC name is 2-phenyl-5H-pyrazolo[1,5-d][1,2,4]triazin-4-one.

Molecular Properties

Compound Name2-phenyl-5H-pyrazolo[1,5-d][1,2,4]triazin-4-one
PubChem CID3077676
Molecular FormulaC11H8N4O
Molecular Weight212.21 g/mol
Exact Mass212.07
IUPAC Name2-phenyl-5H-pyrazolo[1,5-d][1,2,4]triazin-4-one
SMILESO=c1[nH]ncn2nc(-c3ccccc3)cc12
InChIInChI=1S/C11H8N4O/c16-11-10-6-9(8-4-2-1-3-5-8)14-15(10)7-12-13-11/h1-7H,(H,13,16)
InChIKeyBLJSLKIFQXRXSE-UHFFFAOYSA-N
XLogP1.08
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.21
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-phenyl-5H-pyrazolo[1,5-d][1,2,4]triazin-4-one?
The IUPAC name of 2-phenyl-5H-pyrazolo[1,5-d][1,2,4]triazin-4-one (CID 3077676) is 2-phenyl-5H-pyrazolo[1,5-d][1,2,4]triazin-4-one.
What is the SMILES notation for 2-phenyl-5H-pyrazolo[1,5-d][1,2,4]triazin-4-one?
The canonical SMILES for 2-phenyl-5H-pyrazolo[1,5-d][1,2,4]triazin-4-one is O=c1[nH]ncn2nc(-c3ccccc3)cc12.
What is the InChIKey of 2-phenyl-5H-pyrazolo[1,5-d][1,2,4]triazin-4-one?
The InChIKey is BLJSLKIFQXRXSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8N4O/c16-11-10-6-9(8-4-2-1-3-5-8)14-15(10)7-12-13-11/h1-7H,(H,13,16).
What are the key properties of 2-phenyl-5H-pyrazolo[1,5-d][1,2,4]triazin-4-one?
2-phenyl-5H-pyrazolo[1,5-d][1,2,4]triazin-4-one has a molecular weight of 212.21 g/mol, XLogP of 1.08, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-5H-pyrazolo[1,5-d][1,2,4]triazin-4-one is sourced from PubChem (CID 3077676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).