7-phenyl-3H-pyrazolo[5,4-d]triazin-4-one

C10H7N5O — CID 135423160

IUPAC7-phenyl-3H-pyrazolo[5,4-d]triazin-4-one
SMILESO=c1[nH]nnc2c1cnn2-c1ccccc1
InChIInChI=1S/C10H7N5O/c16-10-8-6-11-15(9(8)12-14-13-10)7-4-2-1-3-5-7/h1-6H,(H,12,13,16)
InChIKeyODBQOGDBWHQVKL-UHFFFAOYSA-N
MW213.20 g/mol
LogP0.50
Rot. Bonds1

About 7-phenyl-3H-pyrazolo[5,4-d]triazin-4-one

7-phenyl-3H-pyrazolo[5,4-d]triazin-4-one (PubChem CID 135423160) has the molecular formula C10H7N5O and a molecular weight of 213.20 g/mol. Its IUPAC name is 7-phenyl-3H-pyrazolo[5,4-d]triazin-4-one.

Molecular Properties

Compound Name7-phenyl-3H-pyrazolo[5,4-d]triazin-4-one
PubChem CID135423160
Molecular FormulaC10H7N5O
Molecular Weight213.20 g/mol
Exact Mass213.07
IUPAC Name7-phenyl-3H-pyrazolo[5,4-d]triazin-4-one
SMILESO=c1[nH]nnc2c1cnn2-c1ccccc1
InChIInChI=1S/C10H7N5O/c16-10-8-6-11-15(9(8)12-14-13-10)7-4-2-1-3-5-7/h1-6H,(H,12,13,16)
InChIKeyODBQOGDBWHQVKL-UHFFFAOYSA-N
XLogP0.50
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.20
LogP ≤ 50.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-amino-1-phenyl-1H-pyrazole-4-carboxylic acid
CID 746814
1H-Pyrazolo(3,4-d)pyrimidin-4-one, 4,5-dihydro-5-benzyl-1-phenyl-
CID 714182
5-Amino-1-phenyl-4-pyrazolecarboxamide
CID 1802
5-amino-1-(3-chlorophenyl)-1H-pyrazole-4-carboxamide
CID 2578228
1,5-dihydro-1-phenyl-4H-pyrazolo(3,4-d)pyrimidin-4-one
CID 135408735
5-Allyl-6-benzyl-1-phenyl-1,5-dihydro-pyrazolo[3,4-d]pyrimidin-4-one
CID 722802
Methyl 5-amino-1-phenyl-1H-pyrazole-4-carboxylate
CID 4191879
6-methyl-1-phenyl-2H-pyrazolo[3,4-d]pyrimidin-4-one
CID 135401776
1-(4-fluorophenyl)-1H,4H,5H-pyrazolo[3,4-d]pyrimidin-4-one
CID 135473046
5-Amino-6-ethylsulfanyl-1-phenylpyrazolo[3,4-d]pyrimidin-4-one
CID 940122
5-Amino-1-phenyl-6-prop-2-enylsulfanylpyrazolo[3,4-d]pyrimidin-4-one
CID 1855852
5-Amino-1-phenyl-6-propylsulfanylpyrazolo[3,4-d]pyrimidin-4-one
CID 1983606

Frequently Asked Questions

What is the IUPAC name of 7-phenyl-3H-pyrazolo[5,4-d]triazin-4-one?
The IUPAC name of 7-phenyl-3H-pyrazolo[5,4-d]triazin-4-one (CID 135423160) is 7-phenyl-3H-pyrazolo[5,4-d]triazin-4-one.
What is the SMILES notation for 7-phenyl-3H-pyrazolo[5,4-d]triazin-4-one?
The canonical SMILES for 7-phenyl-3H-pyrazolo[5,4-d]triazin-4-one is O=c1[nH]nnc2c1cnn2-c1ccccc1.
What is the InChIKey of 7-phenyl-3H-pyrazolo[5,4-d]triazin-4-one?
The InChIKey is ODBQOGDBWHQVKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7N5O/c16-10-8-6-11-15(9(8)12-14-13-10)7-4-2-1-3-5-7/h1-6H,(H,12,13,16).
What are the key properties of 7-phenyl-3H-pyrazolo[5,4-d]triazin-4-one?
7-phenyl-3H-pyrazolo[5,4-d]triazin-4-one has a molecular weight of 213.20 g/mol, XLogP of 0.50, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-phenyl-3H-pyrazolo[5,4-d]triazin-4-one is sourced from PubChem (CID 135423160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).