7-phenyl-6H-pyrazolo[5,1-c][1,2,4]triazin-4-one

C11H8N4O — CID 102478161

IUPAC7-phenyl-6H-pyrazolo[5,1-c][1,2,4]triazin-4-one
SMILESO=c1cnnc2cc(-c3ccccc3)[nH]n12
InChIInChI=1S/C11H8N4O/c16-11-7-12-13-10-6-9(14-15(10)11)8-4-2-1-3-5-8/h1-7,14H
InChIKeyKXHKNTPRPBXEEX-UHFFFAOYSA-N
MW212.21 g/mol
LogP1.08
Rot. Bonds1

About 7-phenyl-6H-pyrazolo[5,1-c][1,2,4]triazin-4-one

7-phenyl-6H-pyrazolo[5,1-c][1,2,4]triazin-4-one (PubChem CID 102478161) has the molecular formula C11H8N4O and a molecular weight of 212.21 g/mol. Its IUPAC name is 7-phenyl-6H-pyrazolo[5,1-c][1,2,4]triazin-4-one.

Molecular Properties

Compound Name7-phenyl-6H-pyrazolo[5,1-c][1,2,4]triazin-4-one
PubChem CID102478161
Molecular FormulaC11H8N4O
Molecular Weight212.21 g/mol
Exact Mass212.07
IUPAC Name7-phenyl-6H-pyrazolo[5,1-c][1,2,4]triazin-4-one
SMILESO=c1cnnc2cc(-c3ccccc3)[nH]n12
InChIInChI=1S/C11H8N4O/c16-11-7-12-13-10-6-9(14-15(10)11)8-4-2-1-3-5-8/h1-7,14H
InChIKeyKXHKNTPRPBXEEX-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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Related Compounds

2,5-diphenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 2818800
5-amino-2-phenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 13396558
3-methyl-7-phenyl-6H-pyrazolo[5,1-c][1,2,4]triazin-4-one
CID 20578627
6-(aminomethyl)-2-phenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 115043650
5-(4-nitrophenyl)-2-phenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 780980
6H-pyrazolo[5,1-c][1,2,4]triazin-4-one
CID 13465976
5-phenyl-2,6,7,12-tetrazatricyclo[7.4.0.03,7]trideca-1(9),2,4-trien-8-one;hydrochloride
CID 155823406
5-methyl-2-phenyl-1H-pyrazolo[1,5-a]pyrimidine-7-thione
CID 12726134
5,7-dichloro-2-phenyl-1H-pyrazolo[5,1-b]quinazolin-9-one
CID 131845918
5-phenyl-2,6,7,11-tetrazatricyclo[7.4.0.03,7]trideca-1(9),2,4-trien-8-one
CID 53184078
2-(7-oxo-2-pyridin-3-yl-1H-pyrazolo[1,5-a]pyrimidin-5-yl)acetic acid
CID 82271580
2,5-diphenyl-1H-pyrazol-3-one;hydrochloride
CID 91989506

Frequently Asked Questions

What is the IUPAC name of 7-phenyl-6H-pyrazolo[5,1-c][1,2,4]triazin-4-one?
The IUPAC name of 7-phenyl-6H-pyrazolo[5,1-c][1,2,4]triazin-4-one (CID 102478161) is 7-phenyl-6H-pyrazolo[5,1-c][1,2,4]triazin-4-one.
What is the SMILES notation for 7-phenyl-6H-pyrazolo[5,1-c][1,2,4]triazin-4-one?
The canonical SMILES for 7-phenyl-6H-pyrazolo[5,1-c][1,2,4]triazin-4-one is O=c1cnnc2cc(-c3ccccc3)[nH]n12.
What is the InChIKey of 7-phenyl-6H-pyrazolo[5,1-c][1,2,4]triazin-4-one?
The InChIKey is KXHKNTPRPBXEEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8N4O/c16-11-7-12-13-10-6-9(14-15(10)11)8-4-2-1-3-5-8/h1-7,14H.
What are the key properties of 7-phenyl-6H-pyrazolo[5,1-c][1,2,4]triazin-4-one?
7-phenyl-6H-pyrazolo[5,1-c][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 7-phenyl-6H-pyrazolo[5,1-c][1,2,4]triazin-4-one is sourced from PubChem (CID 102478161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).