2-(furan-2-yl)-6-[4-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyrazin-8-amine

C16H10F3N5O — CID 11233248

IUPAC2-(furan-2-yl)-6-[4-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyrazin-8-amine
SMILESNc1nc(-c2ccc(C(F)(F)F)cc2)cn2nc(-c3ccco3)nc12
InChIInChI=1S/C16H10F3N5O/c17-16(18,19)10-5-3-9(4-6-10)11-8-24-15(13(20)21-11)22-14(23-24)12-2-1-7-25-12/h1-8H,(H2,20,21)
InChIKeyZPSBRXHIFFLEKD-UHFFFAOYSA-N
MW345.28 g/mol
LogP3.65
Rot. Bonds2

About 2-(furan-2-yl)-6-[4-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyrazin-8-amine

2-(furan-2-yl)-6-[4-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyrazin-8-amine (PubChem CID 11233248) has the molecular formula C16H10F3N5O and a molecular weight of 345.28 g/mol. Its IUPAC name is 2-(furan-2-yl)-6-[4-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyrazin-8-amine.

Molecular Properties

Compound Name2-(furan-2-yl)-6-[4-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyrazin-8-amine
PubChem CID11233248
Molecular FormulaC16H10F3N5O
Molecular Weight345.28 g/mol
Exact Mass345.08
IUPAC Name2-(furan-2-yl)-6-[4-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyrazin-8-amine
SMILESNc1nc(-c2ccc(C(F)(F)F)cc2)cn2nc(-c3ccco3)nc12
InChIInChI=1S/C16H10F3N5O/c17-16(18,19)10-5-3-9(4-6-10)11-8-24-15(13(20)21-11)22-14(23-24)12-2-1-7-25-12/h1-8H,(H2,20,21)
InChIKeyZPSBRXHIFFLEKD-UHFFFAOYSA-N
XLogP3.65
TPSA82.24 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.28
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(furan-2-yl)-6-[4-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyrazin-8-amine?
The IUPAC name of 2-(furan-2-yl)-6-[4-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyrazin-8-amine (CID 11233248) is 2-(furan-2-yl)-6-[4-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyrazin-8-amine.
What is the SMILES notation for 2-(furan-2-yl)-6-[4-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyrazin-8-amine?
The canonical SMILES for 2-(furan-2-yl)-6-[4-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyrazin-8-amine is Nc1nc(-c2ccc(C(F)(F)F)cc2)cn2nc(-c3ccco3)nc12.
What is the InChIKey of 2-(furan-2-yl)-6-[4-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyrazin-8-amine?
The InChIKey is ZPSBRXHIFFLEKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10F3N5O/c17-16(18,19)10-5-3-9(4-6-10)11-8-24-15(13(20)21-11)22-14(23-24)12-2-1-7-25-12/h1-8H,(H2,20,21).
What are the key properties of 2-(furan-2-yl)-6-[4-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyrazin-8-amine?
2-(furan-2-yl)-6-[4-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyrazin-8-amine has a molecular weight of 345.28 g/mol, XLogP of 3.65, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(furan-2-yl)-6-[4-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyrazin-8-amine is sourced from PubChem (CID 11233248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).