3-(4-fluorophenyl)-6-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine

C18H10F5N5O — CID 134555514

IUPAC3-(4-fluorophenyl)-6-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine
SMILESFc1ccc(-c2nnc3cnc(-c4cnc(OCC(F)(F)F)c(F)c4)cn23)cc1
InChIInChI=1S/C18H10F5N5O/c19-12-3-1-10(2-4-12)16-27-26-15-7-24-14(8-28(15)16)11-5-13(20)17(25-6-11)29-9-18(21,22)23/h1-8H,9H2
InChIKeyNWNPSSWWNHAHCE-UHFFFAOYSA-N
MW407.30 g/mol
LogP4.07
Rot. Bonds4

About 3-(4-fluorophenyl)-6-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine

3-(4-fluorophenyl)-6-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine (PubChem CID 134555514) has the molecular formula C18H10F5N5O and a molecular weight of 407.30 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-6-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine.

Molecular Properties

Compound Name3-(4-fluorophenyl)-6-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine
PubChem CID134555514
Molecular FormulaC18H10F5N5O
Molecular Weight407.30 g/mol
Exact Mass407.08
IUPAC Name3-(4-fluorophenyl)-6-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine
SMILESFc1ccc(-c2nnc3cnc(-c4cnc(OCC(F)(F)F)c(F)c4)cn23)cc1
InChIInChI=1S/C18H10F5N5O/c19-12-3-1-10(2-4-12)16-27-26-15-7-24-14(8-28(15)16)11-5-13(20)17(25-6-11)29-9-18(21,22)23/h1-8H,9H2
InChIKeyNWNPSSWWNHAHCE-UHFFFAOYSA-N
XLogP4.07
TPSA65.20 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.30
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-6-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine?
The IUPAC name of 3-(4-fluorophenyl)-6-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine (CID 134555514) is 3-(4-fluorophenyl)-6-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine.
What is the SMILES notation for 3-(4-fluorophenyl)-6-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine?
The canonical SMILES for 3-(4-fluorophenyl)-6-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine is Fc1ccc(-c2nnc3cnc(-c4cnc(OCC(F)(F)F)c(F)c4)cn23)cc1.
What is the InChIKey of 3-(4-fluorophenyl)-6-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine?
The InChIKey is NWNPSSWWNHAHCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H10F5N5O/c19-12-3-1-10(2-4-12)16-27-26-15-7-24-14(8-28(15)16)11-5-13(20)17(25-6-11)29-9-18(21,22)23/h1-8H,9H2.
What are the key properties of 3-(4-fluorophenyl)-6-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine?
3-(4-fluorophenyl)-6-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine has a molecular weight of 407.30 g/mol, XLogP of 4.07, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-6-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine is sourced from PubChem (CID 134555514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).