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

C14H9F3N6O — CID 71736662

IUPAC2-methyl-3-[6-(trifluoromethyl)-1H-indazol-4-yl]-6H-pyrazolo[1,5-d][1,2,4]triazin-7-one
SMILESCc1nn2c(=O)[nH]ncc2c1-c1cc(C(F)(F)F)cc2[nH]ncc12
InChIInChI=1S/C14H9F3N6O/c1-6-12(11-5-19-21-13(24)23(11)22-6)8-2-7(14(15,16)17)3-10-9(8)4-18-20-10/h2-5H,1H3,(H,18,20)(H,21,24)
InChIKeyMNZIXTZPKAINMQ-UHFFFAOYSA-N
MW334.26 g/mol
LogP2.29
Rot. Bonds1

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

2-methyl-3-[6-(trifluoromethyl)-1H-indazol-4-yl]-6H-pyrazolo[1,5-d][1,2,4]triazin-7-one (PubChem CID 71736662) has the molecular formula C14H9F3N6O and a molecular weight of 334.26 g/mol. Its IUPAC name is 2-methyl-3-[6-(trifluoromethyl)-1H-indazol-4-yl]-6H-pyrazolo[1,5-d][1,2,4]triazin-7-one.

Molecular Properties

Compound Name2-methyl-3-[6-(trifluoromethyl)-1H-indazol-4-yl]-6H-pyrazolo[1,5-d][1,2,4]triazin-7-one
PubChem CID71736662
Molecular FormulaC14H9F3N6O
Molecular Weight334.26 g/mol
Exact Mass334.08
IUPAC Name2-methyl-3-[6-(trifluoromethyl)-1H-indazol-4-yl]-6H-pyrazolo[1,5-d][1,2,4]triazin-7-one
SMILESCc1nn2c(=O)[nH]ncc2c1-c1cc(C(F)(F)F)cc2[nH]ncc12
InChIInChI=1S/C14H9F3N6O/c1-6-12(11-5-19-21-13(24)23(11)22-6)8-2-7(14(15,16)17)3-10-9(8)4-18-20-10/h2-5H,1H3,(H,18,20)(H,21,24)
InChIKeyMNZIXTZPKAINMQ-UHFFFAOYSA-N
XLogP2.29
TPSA91.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.26
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-[6-(trifluoromethyl)-1H-indazol-4-yl]-6H-pyrazolo[1,5-d][1,2,4]triazin-7-one?
The IUPAC name of 2-methyl-3-[6-(trifluoromethyl)-1H-indazol-4-yl]-6H-pyrazolo[1,5-d][1,2,4]triazin-7-one (CID 71736662) is 2-methyl-3-[6-(trifluoromethyl)-1H-indazol-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-indazol-4-yl]-6H-pyrazolo[1,5-d][1,2,4]triazin-7-one?
The canonical SMILES for 2-methyl-3-[6-(trifluoromethyl)-1H-indazol-4-yl]-6H-pyrazolo[1,5-d][1,2,4]triazin-7-one is Cc1nn2c(=O)[nH]ncc2c1-c1cc(C(F)(F)F)cc2[nH]ncc12.
What is the InChIKey of 2-methyl-3-[6-(trifluoromethyl)-1H-indazol-4-yl]-6H-pyrazolo[1,5-d][1,2,4]triazin-7-one?
The InChIKey is MNZIXTZPKAINMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9F3N6O/c1-6-12(11-5-19-21-13(24)23(11)22-6)8-2-7(14(15,16)17)3-10-9(8)4-18-20-10/h2-5H,1H3,(H,18,20)(H,21,24).
What are the key properties of 2-methyl-3-[6-(trifluoromethyl)-1H-indazol-4-yl]-6H-pyrazolo[1,5-d][1,2,4]triazin-7-one?
2-methyl-3-[6-(trifluoromethyl)-1H-indazol-4-yl]-6H-pyrazolo[1,5-d][1,2,4]triazin-7-one has a molecular weight of 334.26 g/mol, XLogP of 2.29, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-[6-(trifluoromethyl)-1H-indazol-4-yl]-6H-pyrazolo[1,5-d][1,2,4]triazin-7-one is sourced from PubChem (CID 71736662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).