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

C22H15F4N7O — CID 18406840

IUPAC7-(2-fluorophenyl)-2-[(2-methyl-1,2,4-triazol-3-yl)methoxy]-3-[3-(trifluoromethyl)phenyl]pyrazolo[1,5-d][1,2,4]triazine
SMILESCn1ncnc1COc1nn2c(-c3ccccc3F)nncc2c1-c1cccc(C(F)(F)F)c1
InChIInChI=1S/C22H15F4N7O/c1-32-18(27-12-29-32)11-34-21-19(13-5-4-6-14(9-13)22(24,25)26)17-10-28-30-20(33(17)31-21)15-7-2-3-8-16(15)23/h2-10,12H,11H2,1H3
InChIKeyZHPXUSDIAXKCGY-UHFFFAOYSA-N
MW469.40 g/mol
LogP4.32
Rot. Bonds5

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

7-(2-fluorophenyl)-2-[(2-methyl-1,2,4-triazol-3-yl)methoxy]-3-[3-(trifluoromethyl)phenyl]pyrazolo[1,5-d][1,2,4]triazine (PubChem CID 18406840) has the molecular formula C22H15F4N7O and a molecular weight of 469.40 g/mol. Its IUPAC name is 7-(2-fluorophenyl)-2-[(2-methyl-1,2,4-triazol-3-yl)methoxy]-3-[3-(trifluoromethyl)phenyl]pyrazolo[1,5-d][1,2,4]triazine.

Molecular Properties

Compound Name7-(2-fluorophenyl)-2-[(2-methyl-1,2,4-triazol-3-yl)methoxy]-3-[3-(trifluoromethyl)phenyl]pyrazolo[1,5-d][1,2,4]triazine
PubChem CID18406840
Molecular FormulaC22H15F4N7O
Molecular Weight469.40 g/mol
Exact Mass469.13
IUPAC Name7-(2-fluorophenyl)-2-[(2-methyl-1,2,4-triazol-3-yl)methoxy]-3-[3-(trifluoromethyl)phenyl]pyrazolo[1,5-d][1,2,4]triazine
SMILESCn1ncnc1COc1nn2c(-c3ccccc3F)nncc2c1-c1cccc(C(F)(F)F)c1
InChIInChI=1S/C22H15F4N7O/c1-32-18(27-12-29-32)11-34-21-19(13-5-4-6-14(9-13)22(24,25)26)17-10-28-30-20(33(17)31-21)15-7-2-3-8-16(15)23/h2-10,12H,11H2,1H3
InChIKeyZHPXUSDIAXKCGY-UHFFFAOYSA-N
XLogP4.32
TPSA83.02 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.40
LogP ≤ 54.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 7-(2-fluorophenyl)-2-[(2-methyl-1,2,4-triazol-3-yl)methoxy]-3-[3-(trifluoromethyl)phenyl]pyrazolo[1,5-d][1,2,4]triazine?
The IUPAC name of 7-(2-fluorophenyl)-2-[(2-methyl-1,2,4-triazol-3-yl)methoxy]-3-[3-(trifluoromethyl)phenyl]pyrazolo[1,5-d][1,2,4]triazine (CID 18406840) is 7-(2-fluorophenyl)-2-[(2-methyl-1,2,4-triazol-3-yl)methoxy]-3-[3-(trifluoromethyl)phenyl]pyrazolo[1,5-d][1,2,4]triazine.
What is the SMILES notation for 7-(2-fluorophenyl)-2-[(2-methyl-1,2,4-triazol-3-yl)methoxy]-3-[3-(trifluoromethyl)phenyl]pyrazolo[1,5-d][1,2,4]triazine?
The canonical SMILES for 7-(2-fluorophenyl)-2-[(2-methyl-1,2,4-triazol-3-yl)methoxy]-3-[3-(trifluoromethyl)phenyl]pyrazolo[1,5-d][1,2,4]triazine is Cn1ncnc1COc1nn2c(-c3ccccc3F)nncc2c1-c1cccc(C(F)(F)F)c1.
What is the InChIKey of 7-(2-fluorophenyl)-2-[(2-methyl-1,2,4-triazol-3-yl)methoxy]-3-[3-(trifluoromethyl)phenyl]pyrazolo[1,5-d][1,2,4]triazine?
The InChIKey is ZHPXUSDIAXKCGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15F4N7O/c1-32-18(27-12-29-32)11-34-21-19(13-5-4-6-14(9-13)22(24,25)26)17-10-28-30-20(33(17)31-21)15-7-2-3-8-16(15)23/h2-10,12H,11H2,1H3.
What are the key properties of 7-(2-fluorophenyl)-2-[(2-methyl-1,2,4-triazol-3-yl)methoxy]-3-[3-(trifluoromethyl)phenyl]pyrazolo[1,5-d][1,2,4]triazine?
7-(2-fluorophenyl)-2-[(2-methyl-1,2,4-triazol-3-yl)methoxy]-3-[3-(trifluoromethyl)phenyl]pyrazolo[1,5-d][1,2,4]triazine has a molecular weight of 469.40 g/mol, XLogP of 4.32, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2-fluorophenyl)-2-[(2-methyl-1,2,4-triazol-3-yl)methoxy]-3-[3-(trifluoromethyl)phenyl]pyrazolo[1,5-d][1,2,4]triazine is sourced from PubChem (CID 18406840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).