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

C21H15F2N7O — CID 18406877

IUPAC3-(2-fluorophenyl)-7-(4-fluorophenyl)-2-[(2-methyl-1,2,4-triazol-3-yl)methoxy]pyrazolo[1,5-d][1,2,4]triazine
SMILESCn1ncnc1COc1nn2c(-c3ccc(F)cc3)nncc2c1-c1ccccc1F
InChIInChI=1S/C21H15F2N7O/c1-29-18(24-12-26-29)11-31-21-19(15-4-2-3-5-16(15)23)17-10-25-27-20(30(17)28-21)13-6-8-14(22)9-7-13/h2-10,12H,11H2,1H3
InChIKeyGPTKIASBZUGFEQ-UHFFFAOYSA-N
MW419.40 g/mol
LogP3.44
Rot. Bonds5

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

3-(2-fluorophenyl)-7-(4-fluorophenyl)-2-[(2-methyl-1,2,4-triazol-3-yl)methoxy]pyrazolo[1,5-d][1,2,4]triazine (PubChem CID 18406877) has the molecular formula C21H15F2N7O and a molecular weight of 419.40 g/mol. Its IUPAC name is 3-(2-fluorophenyl)-7-(4-fluorophenyl)-2-[(2-methyl-1,2,4-triazol-3-yl)methoxy]pyrazolo[1,5-d][1,2,4]triazine.

Molecular Properties

Compound Name3-(2-fluorophenyl)-7-(4-fluorophenyl)-2-[(2-methyl-1,2,4-triazol-3-yl)methoxy]pyrazolo[1,5-d][1,2,4]triazine
PubChem CID18406877
Molecular FormulaC21H15F2N7O
Molecular Weight419.40 g/mol
Exact Mass419.13
IUPAC Name3-(2-fluorophenyl)-7-(4-fluorophenyl)-2-[(2-methyl-1,2,4-triazol-3-yl)methoxy]pyrazolo[1,5-d][1,2,4]triazine
SMILESCn1ncnc1COc1nn2c(-c3ccc(F)cc3)nncc2c1-c1ccccc1F
InChIInChI=1S/C21H15F2N7O/c1-29-18(24-12-26-29)11-31-21-19(15-4-2-3-5-16(15)23)17-10-25-27-20(30(17)28-21)13-6-8-14(22)9-7-13/h2-10,12H,11H2,1H3
InChIKeyGPTKIASBZUGFEQ-UHFFFAOYSA-N
XLogP3.44
TPSA83.02 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.40
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 3-(2-fluorophenyl)-7-(4-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-fluorophenyl)-7-(4-fluorophenyl)-2-[(2-methyl-1,2,4-triazol-3-yl)methoxy]pyrazolo[1,5-d][1,2,4]triazine (CID 18406877) is 3-(2-fluorophenyl)-7-(4-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-fluorophenyl)-7-(4-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-fluorophenyl)-7-(4-fluorophenyl)-2-[(2-methyl-1,2,4-triazol-3-yl)methoxy]pyrazolo[1,5-d][1,2,4]triazine is Cn1ncnc1COc1nn2c(-c3ccc(F)cc3)nncc2c1-c1ccccc1F.
What is the InChIKey of 3-(2-fluorophenyl)-7-(4-fluorophenyl)-2-[(2-methyl-1,2,4-triazol-3-yl)methoxy]pyrazolo[1,5-d][1,2,4]triazine?
The InChIKey is GPTKIASBZUGFEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15F2N7O/c1-29-18(24-12-26-29)11-31-21-19(15-4-2-3-5-16(15)23)17-10-25-27-20(30(17)28-21)13-6-8-14(22)9-7-13/h2-10,12H,11H2,1H3.
What are the key properties of 3-(2-fluorophenyl)-7-(4-fluorophenyl)-2-[(2-methyl-1,2,4-triazol-3-yl)methoxy]pyrazolo[1,5-d][1,2,4]triazine?
3-(2-fluorophenyl)-7-(4-fluorophenyl)-2-[(2-methyl-1,2,4-triazol-3-yl)methoxy]pyrazolo[1,5-d][1,2,4]triazine has a molecular weight of 419.40 g/mol, XLogP of 3.44, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-fluorophenyl)-7-(4-fluorophenyl)-2-[(2-methyl-1,2,4-triazol-3-yl)methoxy]pyrazolo[1,5-d][1,2,4]triazine is sourced from PubChem (CID 18406877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).