7-[(5-ethylfuran-2-yl)methyl]-3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine

C13H15F3N4O — CID 53186213

IUPAC7-[(5-ethylfuran-2-yl)methyl]-3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine
SMILESCCc1ccc(CN2CCn3c(nnc3C(F)(F)F)C2)o1
InChIInChI=1S/C13H15F3N4O/c1-2-9-3-4-10(21-9)7-19-5-6-20-11(8-19)17-18-12(20)13(14,15)16/h3-4H,2,5-8H2,1H3
InChIKeyPMLGMUWKMGJZCL-UHFFFAOYSA-N
MW300.28 g/mol
LogP2.47
Rot. Bonds3

About 7-[(5-ethylfuran-2-yl)methyl]-3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine

7-[(5-ethylfuran-2-yl)methyl]-3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine (PubChem CID 53186213) has the molecular formula C13H15F3N4O and a molecular weight of 300.28 g/mol. Its IUPAC name is 7-[(5-ethylfuran-2-yl)methyl]-3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine.

Molecular Properties

Compound Name7-[(5-ethylfuran-2-yl)methyl]-3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine
PubChem CID53186213
Molecular FormulaC13H15F3N4O
Molecular Weight300.28 g/mol
Exact Mass300.12
IUPAC Name7-[(5-ethylfuran-2-yl)methyl]-3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine
SMILESCCc1ccc(CN2CCn3c(nnc3C(F)(F)F)C2)o1
InChIInChI=1S/C13H15F3N4O/c1-2-9-3-4-10(21-9)7-19-5-6-20-11(8-19)17-18-12(20)13(14,15)16/h3-4H,2,5-8H2,1H3
InChIKeyPMLGMUWKMGJZCL-UHFFFAOYSA-N
XLogP2.47
TPSA47.09 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.28
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-[(5-ethylfuran-2-yl)methyl]-3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine?
The IUPAC name of 7-[(5-ethylfuran-2-yl)methyl]-3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine (CID 53186213) is 7-[(5-ethylfuran-2-yl)methyl]-3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine.
What is the SMILES notation for 7-[(5-ethylfuran-2-yl)methyl]-3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine?
The canonical SMILES for 7-[(5-ethylfuran-2-yl)methyl]-3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine is CCc1ccc(CN2CCn3c(nnc3C(F)(F)F)C2)o1.
What is the InChIKey of 7-[(5-ethylfuran-2-yl)methyl]-3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine?
The InChIKey is PMLGMUWKMGJZCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F3N4O/c1-2-9-3-4-10(21-9)7-19-5-6-20-11(8-19)17-18-12(20)13(14,15)16/h3-4H,2,5-8H2,1H3.
What are the key properties of 7-[(5-ethylfuran-2-yl)methyl]-3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine?
7-[(5-ethylfuran-2-yl)methyl]-3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine has a molecular weight of 300.28 g/mol, XLogP of 2.47, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(5-ethylfuran-2-yl)methyl]-3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine is sourced from PubChem (CID 53186213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).