5-methyl-3-phenylpyrazolo[4,5-d]triazin-4-one

C11H9N5O — CID 660849

IUPAC5-methyl-3-phenylpyrazolo[4,5-d]triazin-4-one
SMILESCn1ncc2nnn(-c3ccccc3)c(=O)c21
InChIInChI=1S/C11H9N5O/c1-15-10-9(7-12-15)13-14-16(11(10)17)8-5-3-2-4-6-8/h2-7H,1H3
InChIKeyOUVIPUXCTSZLHE-UHFFFAOYSA-N
MW227.23 g/mol
LogP0.51
Rot. Bonds1

About 5-methyl-3-phenylpyrazolo[4,5-d]triazin-4-one

5-methyl-3-phenylpyrazolo[4,5-d]triazin-4-one (PubChem CID 660849) has the molecular formula C11H9N5O and a molecular weight of 227.23 g/mol. Its IUPAC name is 5-methyl-3-phenylpyrazolo[4,5-d]triazin-4-one.

Molecular Properties

Compound Name5-methyl-3-phenylpyrazolo[4,5-d]triazin-4-one
PubChem CID660849
Molecular FormulaC11H9N5O
Molecular Weight227.23 g/mol
Exact Mass227.08
IUPAC Name5-methyl-3-phenylpyrazolo[4,5-d]triazin-4-one
SMILESCn1ncc2nnn(-c3ccccc3)c(=O)c21
InChIInChI=1S/C11H9N5O/c1-15-10-9(7-12-15)13-14-16(11(10)17)8-5-3-2-4-6-8/h2-7H,1H3
InChIKeyOUVIPUXCTSZLHE-UHFFFAOYSA-N
XLogP0.51
TPSA65.60 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.23
LogP ≤ 50.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-3-phenylpyrazolo[4,5-d]triazin-4-one?
The IUPAC name of 5-methyl-3-phenylpyrazolo[4,5-d]triazin-4-one (CID 660849) is 5-methyl-3-phenylpyrazolo[4,5-d]triazin-4-one.
What is the SMILES notation for 5-methyl-3-phenylpyrazolo[4,5-d]triazin-4-one?
The canonical SMILES for 5-methyl-3-phenylpyrazolo[4,5-d]triazin-4-one is Cn1ncc2nnn(-c3ccccc3)c(=O)c21.
What is the InChIKey of 5-methyl-3-phenylpyrazolo[4,5-d]triazin-4-one?
The InChIKey is OUVIPUXCTSZLHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9N5O/c1-15-10-9(7-12-15)13-14-16(11(10)17)8-5-3-2-4-6-8/h2-7H,1H3.
What are the key properties of 5-methyl-3-phenylpyrazolo[4,5-d]triazin-4-one?
5-methyl-3-phenylpyrazolo[4,5-d]triazin-4-one has a molecular weight of 227.23 g/mol, XLogP of 0.51, 1 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3-phenylpyrazolo[4,5-d]triazin-4-one is sourced from PubChem (CID 660849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).