(5-bromofuran-2-yl)-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone

C11H8BrF3N4O2 — CID 64576397

IUPAC(5-bromofuran-2-yl)-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone
SMILESO=C(c1ccc(Br)o1)N1CCn2c(nnc2C(F)(F)F)C1
InChIInChI=1S/C11H8BrF3N4O2/c12-7-2-1-6(21-7)9(20)18-3-4-19-8(5-18)16-17-10(19)11(13,14)15/h1-2H,3-5H2
InChIKeyXIYNIPICDDTIIX-UHFFFAOYSA-N
MW365.11 g/mol
LogP2.31
Rot. Bonds1

About (5-bromofuran-2-yl)-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone

(5-bromofuran-2-yl)-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone (PubChem CID 64576397) has the molecular formula C11H8BrF3N4O2 and a molecular weight of 365.11 g/mol. Its IUPAC name is (5-bromofuran-2-yl)-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone.

Molecular Properties

Compound Name(5-bromofuran-2-yl)-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone
PubChem CID64576397
Molecular FormulaC11H8BrF3N4O2
Molecular Weight365.11 g/mol
Exact Mass363.98
IUPAC Name(5-bromofuran-2-yl)-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone
SMILESO=C(c1ccc(Br)o1)N1CCn2c(nnc2C(F)(F)F)C1
InChIInChI=1S/C11H8BrF3N4O2/c12-7-2-1-6(21-7)9(20)18-3-4-19-8(5-18)16-17-10(19)11(13,14)15/h1-2H,3-5H2
InChIKeyXIYNIPICDDTIIX-UHFFFAOYSA-N
XLogP2.31
TPSA64.16 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.11
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (5-bromofuran-2-yl)-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone?
The IUPAC name of (5-bromofuran-2-yl)-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone (CID 64576397) is (5-bromofuran-2-yl)-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone.
What is the SMILES notation for (5-bromofuran-2-yl)-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone?
The canonical SMILES for (5-bromofuran-2-yl)-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone is O=C(c1ccc(Br)o1)N1CCn2c(nnc2C(F)(F)F)C1.
What is the InChIKey of (5-bromofuran-2-yl)-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone?
The InChIKey is XIYNIPICDDTIIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8BrF3N4O2/c12-7-2-1-6(21-7)9(20)18-3-4-19-8(5-18)16-17-10(19)11(13,14)15/h1-2H,3-5H2.
What are the key properties of (5-bromofuran-2-yl)-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone?
(5-bromofuran-2-yl)-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone has a molecular weight of 365.11 g/mol, XLogP of 2.31, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromofuran-2-yl)-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone is sourced from PubChem (CID 64576397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).