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

C19H14FN7O2 — CID 18406903

IUPAC3-(2-fluorophenyl)-7-(furan-2-yl)-2-[(2-methyl-1,2,4-triazol-3-yl)methoxy]pyrazolo[1,5-d][1,2,4]triazine
SMILESCn1ncnc1COc1nn2c(-c3ccco3)nncc2c1-c1ccccc1F
InChIInChI=1S/C19H14FN7O2/c1-26-16(21-11-23-26)10-29-19-17(12-5-2-3-6-13(12)20)14-9-22-24-18(27(14)25-19)15-7-4-8-28-15/h2-9,11H,10H2,1H3
InChIKeyLODWVHSNNGQTKI-UHFFFAOYSA-N
MW391.37 g/mol
LogP2.90
Rot. Bonds5

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

3-(2-fluorophenyl)-7-(furan-2-yl)-2-[(2-methyl-1,2,4-triazol-3-yl)methoxy]pyrazolo[1,5-d][1,2,4]triazine (PubChem CID 18406903) has the molecular formula C19H14FN7O2 and a molecular weight of 391.37 g/mol. Its IUPAC name is 3-(2-fluorophenyl)-7-(furan-2-yl)-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-(furan-2-yl)-2-[(2-methyl-1,2,4-triazol-3-yl)methoxy]pyrazolo[1,5-d][1,2,4]triazine
PubChem CID18406903
Molecular FormulaC19H14FN7O2
Molecular Weight391.37 g/mol
Exact Mass391.12
IUPAC Name3-(2-fluorophenyl)-7-(furan-2-yl)-2-[(2-methyl-1,2,4-triazol-3-yl)methoxy]pyrazolo[1,5-d][1,2,4]triazine
SMILESCn1ncnc1COc1nn2c(-c3ccco3)nncc2c1-c1ccccc1F
InChIInChI=1S/C19H14FN7O2/c1-26-16(21-11-23-26)10-29-19-17(12-5-2-3-6-13(12)20)14-9-22-24-18(27(14)25-19)15-7-4-8-28-15/h2-9,11H,10H2,1H3
InChIKeyLODWVHSNNGQTKI-UHFFFAOYSA-N
XLogP2.90
TPSA96.16 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.37
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 3-(2-fluorophenyl)-7-(furan-2-yl)-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-(furan-2-yl)-2-[(2-methyl-1,2,4-triazol-3-yl)methoxy]pyrazolo[1,5-d][1,2,4]triazine (CID 18406903) is 3-(2-fluorophenyl)-7-(furan-2-yl)-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-(furan-2-yl)-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-(furan-2-yl)-2-[(2-methyl-1,2,4-triazol-3-yl)methoxy]pyrazolo[1,5-d][1,2,4]triazine is Cn1ncnc1COc1nn2c(-c3ccco3)nncc2c1-c1ccccc1F.
What is the InChIKey of 3-(2-fluorophenyl)-7-(furan-2-yl)-2-[(2-methyl-1,2,4-triazol-3-yl)methoxy]pyrazolo[1,5-d][1,2,4]triazine?
The InChIKey is LODWVHSNNGQTKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14FN7O2/c1-26-16(21-11-23-26)10-29-19-17(12-5-2-3-6-13(12)20)14-9-22-24-18(27(14)25-19)15-7-4-8-28-15/h2-9,11H,10H2,1H3.
What are the key properties of 3-(2-fluorophenyl)-7-(furan-2-yl)-2-[(2-methyl-1,2,4-triazol-3-yl)methoxy]pyrazolo[1,5-d][1,2,4]triazine?
3-(2-fluorophenyl)-7-(furan-2-yl)-2-[(2-methyl-1,2,4-triazol-3-yl)methoxy]pyrazolo[1,5-d][1,2,4]triazine has a molecular weight of 391.37 g/mol, XLogP of 2.90, 5 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-fluorophenyl)-7-(furan-2-yl)-2-[(2-methyl-1,2,4-triazol-3-yl)methoxy]pyrazolo[1,5-d][1,2,4]triazine is sourced from PubChem (CID 18406903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).