2-methyl-7-phenyl-3H-pyrazolo[1,5-a][1,3,5]triazin-4-one

C12H10N4O — CID 135590621

IUPAC2-methyl-7-phenyl-3H-pyrazolo[1,5-a][1,3,5]triazin-4-one
SMILESCc1nc2cc(-c3ccccc3)nn2c(=O)[nH]1
InChIInChI=1S/C12H10N4O/c1-8-13-11-7-10(9-5-3-2-4-6-9)15-16(11)12(17)14-8/h2-7H,1H3,(H,13,14,17)
InChIKeyYMWUFWXVWZQYCM-UHFFFAOYSA-N
MW226.24 g/mol
LogP1.39
Rot. Bonds1

About 2-methyl-7-phenyl-3H-pyrazolo[1,5-a][1,3,5]triazin-4-one

2-methyl-7-phenyl-3H-pyrazolo[1,5-a][1,3,5]triazin-4-one (PubChem CID 135590621) has the molecular formula C12H10N4O and a molecular weight of 226.24 g/mol. Its IUPAC name is 2-methyl-7-phenyl-3H-pyrazolo[1,5-a][1,3,5]triazin-4-one.

Molecular Properties

Compound Name2-methyl-7-phenyl-3H-pyrazolo[1,5-a][1,3,5]triazin-4-one
PubChem CID135590621
Molecular FormulaC12H10N4O
Molecular Weight226.24 g/mol
Exact Mass226.09
IUPAC Name2-methyl-7-phenyl-3H-pyrazolo[1,5-a][1,3,5]triazin-4-one
SMILESCc1nc2cc(-c3ccccc3)nn2c(=O)[nH]1
InChIInChI=1S/C12H10N4O/c1-8-13-11-7-10(9-5-3-2-4-6-9)15-16(11)12(17)14-8/h2-7H,1H3,(H,13,14,17)
InChIKeyYMWUFWXVWZQYCM-UHFFFAOYSA-N
XLogP1.39
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.24
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-7-phenyl-3H-pyrazolo[1,5-a][1,3,5]triazin-4-one?
The IUPAC name of 2-methyl-7-phenyl-3H-pyrazolo[1,5-a][1,3,5]triazin-4-one (CID 135590621) is 2-methyl-7-phenyl-3H-pyrazolo[1,5-a][1,3,5]triazin-4-one.
What is the SMILES notation for 2-methyl-7-phenyl-3H-pyrazolo[1,5-a][1,3,5]triazin-4-one?
The canonical SMILES for 2-methyl-7-phenyl-3H-pyrazolo[1,5-a][1,3,5]triazin-4-one is Cc1nc2cc(-c3ccccc3)nn2c(=O)[nH]1.
What is the InChIKey of 2-methyl-7-phenyl-3H-pyrazolo[1,5-a][1,3,5]triazin-4-one?
The InChIKey is YMWUFWXVWZQYCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N4O/c1-8-13-11-7-10(9-5-3-2-4-6-9)15-16(11)12(17)14-8/h2-7H,1H3,(H,13,14,17).
What are the key properties of 2-methyl-7-phenyl-3H-pyrazolo[1,5-a][1,3,5]triazin-4-one?
2-methyl-7-phenyl-3H-pyrazolo[1,5-a][1,3,5]triazin-4-one has a molecular weight of 226.24 g/mol, XLogP of 1.39, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-7-phenyl-3H-pyrazolo[1,5-a][1,3,5]triazin-4-one is sourced from PubChem (CID 135590621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).