7-[(2-fluorophenyl)methyl]-2,3-dihydro-1H-pyrazolo[5,4-d]triazin-4-one

C11H10FN5O — CID 135708799

IUPAC7-[(2-fluorophenyl)methyl]-2,3-dihydro-1H-pyrazolo[5,4-d]triazin-4-one
SMILESO=C1NNNc2c1cnn2Cc1ccccc1F
InChIInChI=1S/C11H10FN5O/c12-9-4-2-1-3-7(9)6-17-10-8(5-13-17)11(18)15-16-14-10/h1-5,14,16H,6H2,(H,15,18)
InChIKeyZNQJBJDOOCSAEQ-UHFFFAOYSA-N
MW247.23 g/mol
LogP0.65
Rot. Bonds2

About 7-[(2-fluorophenyl)methyl]-2,3-dihydro-1H-pyrazolo[5,4-d]triazin-4-one

7-[(2-fluorophenyl)methyl]-2,3-dihydro-1H-pyrazolo[5,4-d]triazin-4-one (PubChem CID 135708799) has the molecular formula C11H10FN5O and a molecular weight of 247.23 g/mol. Its IUPAC name is 7-[(2-fluorophenyl)methyl]-2,3-dihydro-1H-pyrazolo[5,4-d]triazin-4-one.

Molecular Properties

Compound Name7-[(2-fluorophenyl)methyl]-2,3-dihydro-1H-pyrazolo[5,4-d]triazin-4-one
PubChem CID135708799
Molecular FormulaC11H10FN5O
Molecular Weight247.23 g/mol
Exact Mass247.09
IUPAC Name7-[(2-fluorophenyl)methyl]-2,3-dihydro-1H-pyrazolo[5,4-d]triazin-4-one
SMILESO=C1NNNc2c1cnn2Cc1ccccc1F
InChIInChI=1S/C11H10FN5O/c12-9-4-2-1-3-7(9)6-17-10-8(5-13-17)11(18)15-16-14-10/h1-5,14,16H,6H2,(H,15,18)
InChIKeyZNQJBJDOOCSAEQ-UHFFFAOYSA-N
XLogP0.65
TPSA70.98 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.23
LogP ≤ 50.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-[(2-fluorophenyl)methyl]-2,3-dihydro-1H-pyrazolo[5,4-d]triazin-4-one?
The IUPAC name of 7-[(2-fluorophenyl)methyl]-2,3-dihydro-1H-pyrazolo[5,4-d]triazin-4-one (CID 135708799) is 7-[(2-fluorophenyl)methyl]-2,3-dihydro-1H-pyrazolo[5,4-d]triazin-4-one.
What is the SMILES notation for 7-[(2-fluorophenyl)methyl]-2,3-dihydro-1H-pyrazolo[5,4-d]triazin-4-one?
The canonical SMILES for 7-[(2-fluorophenyl)methyl]-2,3-dihydro-1H-pyrazolo[5,4-d]triazin-4-one is O=C1NNNc2c1cnn2Cc1ccccc1F.
What is the InChIKey of 7-[(2-fluorophenyl)methyl]-2,3-dihydro-1H-pyrazolo[5,4-d]triazin-4-one?
The InChIKey is ZNQJBJDOOCSAEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10FN5O/c12-9-4-2-1-3-7(9)6-17-10-8(5-13-17)11(18)15-16-14-10/h1-5,14,16H,6H2,(H,15,18).
What are the key properties of 7-[(2-fluorophenyl)methyl]-2,3-dihydro-1H-pyrazolo[5,4-d]triazin-4-one?
7-[(2-fluorophenyl)methyl]-2,3-dihydro-1H-pyrazolo[5,4-d]triazin-4-one has a molecular weight of 247.23 g/mol, XLogP of 0.65, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(2-fluorophenyl)methyl]-2,3-dihydro-1H-pyrazolo[5,4-d]triazin-4-one is sourced from PubChem (CID 135708799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).