7-methyl-2,8-diphenyl-3H-pyrazolo[1,5-a][1,3,5]triazin-4-one

C18H14N4O — CID 166606433

IUPAC7-methyl-2,8-diphenyl-3H-pyrazolo[1,5-a][1,3,5]triazin-4-one
SMILESCc1nn2c(=O)[nH]c(-c3ccccc3)nc2c1-c1ccccc1
InChIInChI=1S/C18H14N4O/c1-12-15(13-8-4-2-5-9-13)17-19-16(14-10-6-3-7-11-14)20-18(23)22(17)21-12/h2-11H,1H3,(H,19,20,23)
InChIKeyGUSPAILJXSACCA-UHFFFAOYSA-N
MW302.34 g/mol
LogP3.06
Rot. Bonds2

About 7-methyl-2,8-diphenyl-3H-pyrazolo[1,5-a][1,3,5]triazin-4-one

7-methyl-2,8-diphenyl-3H-pyrazolo[1,5-a][1,3,5]triazin-4-one (PubChem CID 166606433) has the molecular formula C18H14N4O and a molecular weight of 302.34 g/mol. Its IUPAC name is 7-methyl-2,8-diphenyl-3H-pyrazolo[1,5-a][1,3,5]triazin-4-one.

Molecular Properties

Compound Name7-methyl-2,8-diphenyl-3H-pyrazolo[1,5-a][1,3,5]triazin-4-one
PubChem CID166606433
Molecular FormulaC18H14N4O
Molecular Weight302.34 g/mol
Exact Mass302.12
IUPAC Name7-methyl-2,8-diphenyl-3H-pyrazolo[1,5-a][1,3,5]triazin-4-one
SMILESCc1nn2c(=O)[nH]c(-c3ccccc3)nc2c1-c1ccccc1
InChIInChI=1S/C18H14N4O/c1-12-15(13-8-4-2-5-9-13)17-19-16(14-10-6-3-7-11-14)20-18(23)22(17)21-12/h2-11H,1H3,(H,19,20,23)
InChIKeyGUSPAILJXSACCA-UHFFFAOYSA-N
XLogP3.06
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.34
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-methyl-2,8-diphenyl-3H-pyrazolo[1,5-a][1,3,5]triazin-4-one?
The IUPAC name of 7-methyl-2,8-diphenyl-3H-pyrazolo[1,5-a][1,3,5]triazin-4-one (CID 166606433) is 7-methyl-2,8-diphenyl-3H-pyrazolo[1,5-a][1,3,5]triazin-4-one.
What is the SMILES notation for 7-methyl-2,8-diphenyl-3H-pyrazolo[1,5-a][1,3,5]triazin-4-one?
The canonical SMILES for 7-methyl-2,8-diphenyl-3H-pyrazolo[1,5-a][1,3,5]triazin-4-one is Cc1nn2c(=O)[nH]c(-c3ccccc3)nc2c1-c1ccccc1.
What is the InChIKey of 7-methyl-2,8-diphenyl-3H-pyrazolo[1,5-a][1,3,5]triazin-4-one?
The InChIKey is GUSPAILJXSACCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N4O/c1-12-15(13-8-4-2-5-9-13)17-19-16(14-10-6-3-7-11-14)20-18(23)22(17)21-12/h2-11H,1H3,(H,19,20,23).
What are the key properties of 7-methyl-2,8-diphenyl-3H-pyrazolo[1,5-a][1,3,5]triazin-4-one?
7-methyl-2,8-diphenyl-3H-pyrazolo[1,5-a][1,3,5]triazin-4-one has a molecular weight of 302.34 g/mol, XLogP of 3.06, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-2,8-diphenyl-3H-pyrazolo[1,5-a][1,3,5]triazin-4-one is sourced from PubChem (CID 166606433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).