7-(4-fluorophenoxy)-2,6-dimethyl-5H-pyrazolo[1,5-b][1,2,4]triazole

C12H11FN4O — CID 163971689

IUPAC7-(4-fluorophenoxy)-2,6-dimethyl-5H-pyrazolo[1,5-b][1,2,4]triazole
SMILESCc1nc2c(Oc3ccc(F)cc3)c(C)[nH]n2n1
InChIInChI=1S/C12H11FN4O/c1-7-11(12-14-8(2)16-17(12)15-7)18-10-5-3-9(13)4-6-10/h3-6,15H,1-2H3
InChIKeyPAWMLMDDNXMEHN-UHFFFAOYSA-N
MW246.25 g/mol
LogP2.61
Rot. Bonds2

About 7-(4-fluorophenoxy)-2,6-dimethyl-5H-pyrazolo[1,5-b][1,2,4]triazole

7-(4-fluorophenoxy)-2,6-dimethyl-5H-pyrazolo[1,5-b][1,2,4]triazole (PubChem CID 163971689) has the molecular formula C12H11FN4O and a molecular weight of 246.25 g/mol. Its IUPAC name is 7-(4-fluorophenoxy)-2,6-dimethyl-5H-pyrazolo[1,5-b][1,2,4]triazole.

Molecular Properties

Compound Name7-(4-fluorophenoxy)-2,6-dimethyl-5H-pyrazolo[1,5-b][1,2,4]triazole
PubChem CID163971689
Molecular FormulaC12H11FN4O
Molecular Weight246.25 g/mol
Exact Mass246.09
IUPAC Name7-(4-fluorophenoxy)-2,6-dimethyl-5H-pyrazolo[1,5-b][1,2,4]triazole
SMILESCc1nc2c(Oc3ccc(F)cc3)c(C)[nH]n2n1
InChIInChI=1S/C12H11FN4O/c1-7-11(12-14-8(2)16-17(12)15-7)18-10-5-3-9(13)4-6-10/h3-6,15H,1-2H3
InChIKeyPAWMLMDDNXMEHN-UHFFFAOYSA-N
XLogP2.61
TPSA55.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.25
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-(4-fluorophenoxy)-2,6-dimethyl-5H-pyrazolo[1,5-b][1,2,4]triazole?
The IUPAC name of 7-(4-fluorophenoxy)-2,6-dimethyl-5H-pyrazolo[1,5-b][1,2,4]triazole (CID 163971689) is 7-(4-fluorophenoxy)-2,6-dimethyl-5H-pyrazolo[1,5-b][1,2,4]triazole.
What is the SMILES notation for 7-(4-fluorophenoxy)-2,6-dimethyl-5H-pyrazolo[1,5-b][1,2,4]triazole?
The canonical SMILES for 7-(4-fluorophenoxy)-2,6-dimethyl-5H-pyrazolo[1,5-b][1,2,4]triazole is Cc1nc2c(Oc3ccc(F)cc3)c(C)[nH]n2n1.
What is the InChIKey of 7-(4-fluorophenoxy)-2,6-dimethyl-5H-pyrazolo[1,5-b][1,2,4]triazole?
The InChIKey is PAWMLMDDNXMEHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11FN4O/c1-7-11(12-14-8(2)16-17(12)15-7)18-10-5-3-9(13)4-6-10/h3-6,15H,1-2H3.
What are the key properties of 7-(4-fluorophenoxy)-2,6-dimethyl-5H-pyrazolo[1,5-b][1,2,4]triazole?
7-(4-fluorophenoxy)-2,6-dimethyl-5H-pyrazolo[1,5-b][1,2,4]triazole has a molecular weight of 246.25 g/mol, XLogP of 2.61, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4-fluorophenoxy)-2,6-dimethyl-5H-pyrazolo[1,5-b][1,2,4]triazole is sourced from PubChem (CID 163971689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).