2-methyl-3-[6-(trifluoromethyl)-1H-isoindol-4-yl]-6H-pyrazolo[1,5-d][1,2,4]triazin-7-one

C15H10F3N5O — CID 146879083

IUPAC2-methyl-3-[6-(trifluoromethyl)-1H-isoindol-4-yl]-6H-pyrazolo[1,5-d][1,2,4]triazin-7-one
SMILESCc1nn2c(=O)[nH]ncc2c1-c1cc(C(F)(F)F)cc2c1C=NC2
InChIInChI=1S/C15H10F3N5O/c1-7-13(12-6-20-21-14(24)23(12)22-7)10-3-9(15(16,17)18)2-8-4-19-5-11(8)10/h2-3,5-6H,4H2,1H3,(H,21,24)
InChIKeySRLPMDAVFYQDAY-UHFFFAOYSA-N
MW333.27 g/mol
LogP2.34
Rot. Bonds1

About 2-methyl-3-[6-(trifluoromethyl)-1H-isoindol-4-yl]-6H-pyrazolo[1,5-d][1,2,4]triazin-7-one

2-methyl-3-[6-(trifluoromethyl)-1H-isoindol-4-yl]-6H-pyrazolo[1,5-d][1,2,4]triazin-7-one (PubChem CID 146879083) has the molecular formula C15H10F3N5O and a molecular weight of 333.27 g/mol. Its IUPAC name is 2-methyl-3-[6-(trifluoromethyl)-1H-isoindol-4-yl]-6H-pyrazolo[1,5-d][1,2,4]triazin-7-one.

Molecular Properties

Compound Name2-methyl-3-[6-(trifluoromethyl)-1H-isoindol-4-yl]-6H-pyrazolo[1,5-d][1,2,4]triazin-7-one
PubChem CID146879083
Molecular FormulaC15H10F3N5O
Molecular Weight333.27 g/mol
Exact Mass333.08
IUPAC Name2-methyl-3-[6-(trifluoromethyl)-1H-isoindol-4-yl]-6H-pyrazolo[1,5-d][1,2,4]triazin-7-one
SMILESCc1nn2c(=O)[nH]ncc2c1-c1cc(C(F)(F)F)cc2c1C=NC2
InChIInChI=1S/C15H10F3N5O/c1-7-13(12-6-20-21-14(24)23(12)22-7)10-3-9(15(16,17)18)2-8-4-19-5-11(8)10/h2-3,5-6H,4H2,1H3,(H,21,24)
InChIKeySRLPMDAVFYQDAY-UHFFFAOYSA-N
XLogP2.34
TPSA75.41 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.27
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-[6-(trifluoromethyl)-1H-isoindol-4-yl]-6H-pyrazolo[1,5-d][1,2,4]triazin-7-one?
The IUPAC name of 2-methyl-3-[6-(trifluoromethyl)-1H-isoindol-4-yl]-6H-pyrazolo[1,5-d][1,2,4]triazin-7-one (CID 146879083) is 2-methyl-3-[6-(trifluoromethyl)-1H-isoindol-4-yl]-6H-pyrazolo[1,5-d][1,2,4]triazin-7-one.
What is the SMILES notation for 2-methyl-3-[6-(trifluoromethyl)-1H-isoindol-4-yl]-6H-pyrazolo[1,5-d][1,2,4]triazin-7-one?
The canonical SMILES for 2-methyl-3-[6-(trifluoromethyl)-1H-isoindol-4-yl]-6H-pyrazolo[1,5-d][1,2,4]triazin-7-one is Cc1nn2c(=O)[nH]ncc2c1-c1cc(C(F)(F)F)cc2c1C=NC2.
What is the InChIKey of 2-methyl-3-[6-(trifluoromethyl)-1H-isoindol-4-yl]-6H-pyrazolo[1,5-d][1,2,4]triazin-7-one?
The InChIKey is SRLPMDAVFYQDAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10F3N5O/c1-7-13(12-6-20-21-14(24)23(12)22-7)10-3-9(15(16,17)18)2-8-4-19-5-11(8)10/h2-3,5-6H,4H2,1H3,(H,21,24).
What are the key properties of 2-methyl-3-[6-(trifluoromethyl)-1H-isoindol-4-yl]-6H-pyrazolo[1,5-d][1,2,4]triazin-7-one?
2-methyl-3-[6-(trifluoromethyl)-1H-isoindol-4-yl]-6H-pyrazolo[1,5-d][1,2,4]triazin-7-one has a molecular weight of 333.27 g/mol, XLogP of 2.34, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-[6-(trifluoromethyl)-1H-isoindol-4-yl]-6H-pyrazolo[1,5-d][1,2,4]triazin-7-one is sourced from PubChem (CID 146879083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).