3-[4-(difluoromethoxy)phenyl]-5-(2-phenylethoxy)-[1,2,4]triazolo[4,3-a]pyrazine

C20H16F2N4O2 — CID 162345713

IUPAC3-[4-(difluoromethoxy)phenyl]-5-(2-phenylethoxy)-[1,2,4]triazolo[4,3-a]pyrazine
SMILESFC(F)Oc1ccc(-c2nnc3cncc(OCCc4ccccc4)n23)cc1
InChIInChI=1S/C20H16F2N4O2/c21-20(22)28-16-8-6-15(7-9-16)19-25-24-17-12-23-13-18(26(17)19)27-11-10-14-4-2-1-3-5-14/h1-9,12-13,20H,10-11H2
InChIKeyAVBCIJLYABLIRW-UHFFFAOYSA-N
MW382.37 g/mol
LogP4.01
Rot. Bonds7

About 3-[4-(difluoromethoxy)phenyl]-5-(2-phenylethoxy)-[1,2,4]triazolo[4,3-a]pyrazine

3-[4-(difluoromethoxy)phenyl]-5-(2-phenylethoxy)-[1,2,4]triazolo[4,3-a]pyrazine (PubChem CID 162345713) has the molecular formula C20H16F2N4O2 and a molecular weight of 382.37 g/mol. Its IUPAC name is 3-[4-(difluoromethoxy)phenyl]-5-(2-phenylethoxy)-[1,2,4]triazolo[4,3-a]pyrazine.

Molecular Properties

Compound Name3-[4-(difluoromethoxy)phenyl]-5-(2-phenylethoxy)-[1,2,4]triazolo[4,3-a]pyrazine
PubChem CID162345713
Molecular FormulaC20H16F2N4O2
Molecular Weight382.37 g/mol
Exact Mass382.12
IUPAC Name3-[4-(difluoromethoxy)phenyl]-5-(2-phenylethoxy)-[1,2,4]triazolo[4,3-a]pyrazine
SMILESFC(F)Oc1ccc(-c2nnc3cncc(OCCc4ccccc4)n23)cc1
InChIInChI=1S/C20H16F2N4O2/c21-20(22)28-16-8-6-15(7-9-16)19-25-24-17-12-23-13-18(26(17)19)27-11-10-14-4-2-1-3-5-14/h1-9,12-13,20H,10-11H2
InChIKeyAVBCIJLYABLIRW-UHFFFAOYSA-N
XLogP4.01
TPSA61.54 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.37
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[4-(difluoromethoxy)phenyl]-5-(2-phenylethoxy)-[1,2,4]triazolo[4,3-a]pyrazine?
The IUPAC name of 3-[4-(difluoromethoxy)phenyl]-5-(2-phenylethoxy)-[1,2,4]triazolo[4,3-a]pyrazine (CID 162345713) is 3-[4-(difluoromethoxy)phenyl]-5-(2-phenylethoxy)-[1,2,4]triazolo[4,3-a]pyrazine.
What is the SMILES notation for 3-[4-(difluoromethoxy)phenyl]-5-(2-phenylethoxy)-[1,2,4]triazolo[4,3-a]pyrazine?
The canonical SMILES for 3-[4-(difluoromethoxy)phenyl]-5-(2-phenylethoxy)-[1,2,4]triazolo[4,3-a]pyrazine is FC(F)Oc1ccc(-c2nnc3cncc(OCCc4ccccc4)n23)cc1.
What is the InChIKey of 3-[4-(difluoromethoxy)phenyl]-5-(2-phenylethoxy)-[1,2,4]triazolo[4,3-a]pyrazine?
The InChIKey is AVBCIJLYABLIRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16F2N4O2/c21-20(22)28-16-8-6-15(7-9-16)19-25-24-17-12-23-13-18(26(17)19)27-11-10-14-4-2-1-3-5-14/h1-9,12-13,20H,10-11H2.
What are the key properties of 3-[4-(difluoromethoxy)phenyl]-5-(2-phenylethoxy)-[1,2,4]triazolo[4,3-a]pyrazine?
3-[4-(difluoromethoxy)phenyl]-5-(2-phenylethoxy)-[1,2,4]triazolo[4,3-a]pyrazine has a molecular weight of 382.37 g/mol, XLogP of 4.01, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(difluoromethoxy)phenyl]-5-(2-phenylethoxy)-[1,2,4]triazolo[4,3-a]pyrazine is sourced from PubChem (CID 162345713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).