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

C20H15FN8O — CID 18406910

IUPAC3-(2-fluorophenyl)-2-[(2-methyl-1,2,4-triazol-3-yl)methoxy]-7-pyridin-3-ylpyrazolo[1,5-d][1,2,4]triazine
SMILESCn1ncnc1COc1nn2c(-c3cccnc3)nncc2c1-c1ccccc1F
InChIInChI=1S/C20H15FN8O/c1-28-17(23-12-25-28)11-30-20-18(14-6-2-3-7-15(14)21)16-10-24-26-19(29(16)27-20)13-5-4-8-22-9-13/h2-10,12H,11H2,1H3
InChIKeyLYXHWNNDUVMWRX-UHFFFAOYSA-N
MW402.39 g/mol
LogP2.70
Rot. Bonds5

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

3-(2-fluorophenyl)-2-[(2-methyl-1,2,4-triazol-3-yl)methoxy]-7-pyridin-3-ylpyrazolo[1,5-d][1,2,4]triazine (PubChem CID 18406910) has the molecular formula C20H15FN8O and a molecular weight of 402.39 g/mol. Its IUPAC name is 3-(2-fluorophenyl)-2-[(2-methyl-1,2,4-triazol-3-yl)methoxy]-7-pyridin-3-ylpyrazolo[1,5-d][1,2,4]triazine.

Molecular Properties

Compound Name3-(2-fluorophenyl)-2-[(2-methyl-1,2,4-triazol-3-yl)methoxy]-7-pyridin-3-ylpyrazolo[1,5-d][1,2,4]triazine
PubChem CID18406910
Molecular FormulaC20H15FN8O
Molecular Weight402.39 g/mol
Exact Mass402.14
IUPAC Name3-(2-fluorophenyl)-2-[(2-methyl-1,2,4-triazol-3-yl)methoxy]-7-pyridin-3-ylpyrazolo[1,5-d][1,2,4]triazine
SMILESCn1ncnc1COc1nn2c(-c3cccnc3)nncc2c1-c1ccccc1F
InChIInChI=1S/C20H15FN8O/c1-28-17(23-12-25-28)11-30-20-18(14-6-2-3-7-15(14)21)16-10-24-26-19(29(16)27-20)13-5-4-8-22-9-13/h2-10,12H,11H2,1H3
InChIKeyLYXHWNNDUVMWRX-UHFFFAOYSA-N
XLogP2.70
TPSA95.91 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.39
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 3-(2-fluorophenyl)-2-[(2-methyl-1,2,4-triazol-3-yl)methoxy]-7-pyridin-3-ylpyrazolo[1,5-d][1,2,4]triazine?
The IUPAC name of 3-(2-fluorophenyl)-2-[(2-methyl-1,2,4-triazol-3-yl)methoxy]-7-pyridin-3-ylpyrazolo[1,5-d][1,2,4]triazine (CID 18406910) is 3-(2-fluorophenyl)-2-[(2-methyl-1,2,4-triazol-3-yl)methoxy]-7-pyridin-3-ylpyrazolo[1,5-d][1,2,4]triazine.
What is the SMILES notation for 3-(2-fluorophenyl)-2-[(2-methyl-1,2,4-triazol-3-yl)methoxy]-7-pyridin-3-ylpyrazolo[1,5-d][1,2,4]triazine?
The canonical SMILES for 3-(2-fluorophenyl)-2-[(2-methyl-1,2,4-triazol-3-yl)methoxy]-7-pyridin-3-ylpyrazolo[1,5-d][1,2,4]triazine is Cn1ncnc1COc1nn2c(-c3cccnc3)nncc2c1-c1ccccc1F.
What is the InChIKey of 3-(2-fluorophenyl)-2-[(2-methyl-1,2,4-triazol-3-yl)methoxy]-7-pyridin-3-ylpyrazolo[1,5-d][1,2,4]triazine?
The InChIKey is LYXHWNNDUVMWRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15FN8O/c1-28-17(23-12-25-28)11-30-20-18(14-6-2-3-7-15(14)21)16-10-24-26-19(29(16)27-20)13-5-4-8-22-9-13/h2-10,12H,11H2,1H3.
What are the key properties of 3-(2-fluorophenyl)-2-[(2-methyl-1,2,4-triazol-3-yl)methoxy]-7-pyridin-3-ylpyrazolo[1,5-d][1,2,4]triazine?
3-(2-fluorophenyl)-2-[(2-methyl-1,2,4-triazol-3-yl)methoxy]-7-pyridin-3-ylpyrazolo[1,5-d][1,2,4]triazine has a molecular weight of 402.39 g/mol, XLogP of 2.70, 5 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-fluorophenyl)-2-[(2-methyl-1,2,4-triazol-3-yl)methoxy]-7-pyridin-3-ylpyrazolo[1,5-d][1,2,4]triazine is sourced from PubChem (CID 18406910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).