3-(2,6-difluorophenyl)-7-(2-fluorophenyl)-2-[(2-methyl-1,2,4-triazol-3-yl)methoxy]pyrazolo[1,5-d][1,2,4]triazine

C21H14F3N7O — CID 18406861

IUPAC3-(2,6-difluorophenyl)-7-(2-fluorophenyl)-2-[(2-methyl-1,2,4-triazol-3-yl)methoxy]pyrazolo[1,5-d][1,2,4]triazine
SMILESCn1ncnc1COc1nn2c(-c3ccccc3F)nncc2c1-c1c(F)cccc1F
InChIInChI=1S/C21H14F3N7O/c1-30-17(25-11-27-30)10-32-21-19(18-14(23)7-4-8-15(18)24)16-9-26-28-20(31(16)29-21)12-5-2-3-6-13(12)22/h2-9,11H,10H2,1H3
InChIKeyLVJXDIPOLXCUPP-UHFFFAOYSA-N
MW437.39 g/mol
LogP3.58
Rot. Bonds5

About 3-(2,6-difluorophenyl)-7-(2-fluorophenyl)-2-[(2-methyl-1,2,4-triazol-3-yl)methoxy]pyrazolo[1,5-d][1,2,4]triazine

3-(2,6-difluorophenyl)-7-(2-fluorophenyl)-2-[(2-methyl-1,2,4-triazol-3-yl)methoxy]pyrazolo[1,5-d][1,2,4]triazine (PubChem CID 18406861) has the molecular formula C21H14F3N7O and a molecular weight of 437.39 g/mol. Its IUPAC name is 3-(2,6-difluorophenyl)-7-(2-fluorophenyl)-2-[(2-methyl-1,2,4-triazol-3-yl)methoxy]pyrazolo[1,5-d][1,2,4]triazine.

Molecular Properties

Compound Name3-(2,6-difluorophenyl)-7-(2-fluorophenyl)-2-[(2-methyl-1,2,4-triazol-3-yl)methoxy]pyrazolo[1,5-d][1,2,4]triazine
PubChem CID18406861
Molecular FormulaC21H14F3N7O
Molecular Weight437.39 g/mol
Exact Mass437.12
IUPAC Name3-(2,6-difluorophenyl)-7-(2-fluorophenyl)-2-[(2-methyl-1,2,4-triazol-3-yl)methoxy]pyrazolo[1,5-d][1,2,4]triazine
SMILESCn1ncnc1COc1nn2c(-c3ccccc3F)nncc2c1-c1c(F)cccc1F
InChIInChI=1S/C21H14F3N7O/c1-30-17(25-11-27-30)10-32-21-19(18-14(23)7-4-8-15(18)24)16-9-26-28-20(31(16)29-21)12-5-2-3-6-13(12)22/h2-9,11H,10H2,1H3
InChIKeyLVJXDIPOLXCUPP-UHFFFAOYSA-N
XLogP3.58
TPSA83.02 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.39
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 3-(2,6-difluorophenyl)-7-(2-fluorophenyl)-2-[(2-methyl-1,2,4-triazol-3-yl)methoxy]pyrazolo[1,5-d][1,2,4]triazine?
The IUPAC name of 3-(2,6-difluorophenyl)-7-(2-fluorophenyl)-2-[(2-methyl-1,2,4-triazol-3-yl)methoxy]pyrazolo[1,5-d][1,2,4]triazine (CID 18406861) is 3-(2,6-difluorophenyl)-7-(2-fluorophenyl)-2-[(2-methyl-1,2,4-triazol-3-yl)methoxy]pyrazolo[1,5-d][1,2,4]triazine.
What is the SMILES notation for 3-(2,6-difluorophenyl)-7-(2-fluorophenyl)-2-[(2-methyl-1,2,4-triazol-3-yl)methoxy]pyrazolo[1,5-d][1,2,4]triazine?
The canonical SMILES for 3-(2,6-difluorophenyl)-7-(2-fluorophenyl)-2-[(2-methyl-1,2,4-triazol-3-yl)methoxy]pyrazolo[1,5-d][1,2,4]triazine is Cn1ncnc1COc1nn2c(-c3ccccc3F)nncc2c1-c1c(F)cccc1F.
What is the InChIKey of 3-(2,6-difluorophenyl)-7-(2-fluorophenyl)-2-[(2-methyl-1,2,4-triazol-3-yl)methoxy]pyrazolo[1,5-d][1,2,4]triazine?
The InChIKey is LVJXDIPOLXCUPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14F3N7O/c1-30-17(25-11-27-30)10-32-21-19(18-14(23)7-4-8-15(18)24)16-9-26-28-20(31(16)29-21)12-5-2-3-6-13(12)22/h2-9,11H,10H2,1H3.
What are the key properties of 3-(2,6-difluorophenyl)-7-(2-fluorophenyl)-2-[(2-methyl-1,2,4-triazol-3-yl)methoxy]pyrazolo[1,5-d][1,2,4]triazine?
3-(2,6-difluorophenyl)-7-(2-fluorophenyl)-2-[(2-methyl-1,2,4-triazol-3-yl)methoxy]pyrazolo[1,5-d][1,2,4]triazine has a molecular weight of 437.39 g/mol, XLogP of 3.58, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,6-difluorophenyl)-7-(2-fluorophenyl)-2-[(2-methyl-1,2,4-triazol-3-yl)methoxy]pyrazolo[1,5-d][1,2,4]triazine is sourced from PubChem (CID 18406861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).