7-methyl-8-phenyl-2,2-bis(trifluoromethyl)-1,3-dihydropyrazolo[1,5-a][1,3,5]triazin-4-one

C14H10F6N4O — CID 1242571

IUPAC7-methyl-8-phenyl-2,2-bis(trifluoromethyl)-1,3-dihydropyrazolo[1,5-a][1,3,5]triazin-4-one
SMILESCc1nn2c(c1-c1ccccc1)NC(C(F)(F)F)(C(F)(F)F)NC2=O
InChIInChI=1S/C14H10F6N4O/c1-7-9(8-5-3-2-4-6-8)10-21-12(13(15,16)17,14(18,19)20)22-11(25)24(10)23-7/h2-6,21H,1H3,(H,22,25)
InChIKeyGJTUDXGGCJHZCF-UHFFFAOYSA-N
MW364.25 g/mol
LogP3.66
Rot. Bonds1

About 7-methyl-8-phenyl-2,2-bis(trifluoromethyl)-1,3-dihydropyrazolo[1,5-a][1,3,5]triazin-4-one

7-methyl-8-phenyl-2,2-bis(trifluoromethyl)-1,3-dihydropyrazolo[1,5-a][1,3,5]triazin-4-one (PubChem CID 1242571) has the molecular formula C14H10F6N4O and a molecular weight of 364.25 g/mol. Its IUPAC name is 7-methyl-8-phenyl-2,2-bis(trifluoromethyl)-1,3-dihydropyrazolo[1,5-a][1,3,5]triazin-4-one.

Molecular Properties

Compound Name7-methyl-8-phenyl-2,2-bis(trifluoromethyl)-1,3-dihydropyrazolo[1,5-a][1,3,5]triazin-4-one
PubChem CID1242571
Molecular FormulaC14H10F6N4O
Molecular Weight364.25 g/mol
Exact Mass364.08
IUPAC Name7-methyl-8-phenyl-2,2-bis(trifluoromethyl)-1,3-dihydropyrazolo[1,5-a][1,3,5]triazin-4-one
SMILESCc1nn2c(c1-c1ccccc1)NC(C(F)(F)F)(C(F)(F)F)NC2=O
InChIInChI=1S/C14H10F6N4O/c1-7-9(8-5-3-2-4-6-8)10-21-12(13(15,16)17,14(18,19)20)22-11(25)24(10)23-7/h2-6,21H,1H3,(H,22,25)
InChIKeyGJTUDXGGCJHZCF-UHFFFAOYSA-N
XLogP3.66
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.25
LogP ≤ 53.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 7-methyl-8-phenyl-2,2-bis(trifluoromethyl)-1,3-dihydropyrazolo[1,5-a][1,3,5]triazin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 7-methyl-8-phenyl-2,2-bis(trifluoromethyl)-1,3-dihydropyrazolo[1,5-a][1,3,5]triazin-4-one?
The IUPAC name of 7-methyl-8-phenyl-2,2-bis(trifluoromethyl)-1,3-dihydropyrazolo[1,5-a][1,3,5]triazin-4-one (CID 1242571) is 7-methyl-8-phenyl-2,2-bis(trifluoromethyl)-1,3-dihydropyrazolo[1,5-a][1,3,5]triazin-4-one.
What is the SMILES notation for 7-methyl-8-phenyl-2,2-bis(trifluoromethyl)-1,3-dihydropyrazolo[1,5-a][1,3,5]triazin-4-one?
The canonical SMILES for 7-methyl-8-phenyl-2,2-bis(trifluoromethyl)-1,3-dihydropyrazolo[1,5-a][1,3,5]triazin-4-one is Cc1nn2c(c1-c1ccccc1)NC(C(F)(F)F)(C(F)(F)F)NC2=O.
What is the InChIKey of 7-methyl-8-phenyl-2,2-bis(trifluoromethyl)-1,3-dihydropyrazolo[1,5-a][1,3,5]triazin-4-one?
The InChIKey is GJTUDXGGCJHZCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10F6N4O/c1-7-9(8-5-3-2-4-6-8)10-21-12(13(15,16)17,14(18,19)20)22-11(25)24(10)23-7/h2-6,21H,1H3,(H,22,25).
What are the key properties of 7-methyl-8-phenyl-2,2-bis(trifluoromethyl)-1,3-dihydropyrazolo[1,5-a][1,3,5]triazin-4-one?
7-methyl-8-phenyl-2,2-bis(trifluoromethyl)-1,3-dihydropyrazolo[1,5-a][1,3,5]triazin-4-one has a molecular weight of 364.25 g/mol, XLogP of 3.66, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-8-phenyl-2,2-bis(trifluoromethyl)-1,3-dihydropyrazolo[1,5-a][1,3,5]triazin-4-one is sourced from PubChem (CID 1242571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).