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

C13H11F3N4O2 — CID 53193593

IUPAC6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl-[3-(trifluoromethoxy)phenyl]methanone
SMILESO=C(c1cccc(OC(F)(F)F)c1)N1CCn2cnnc2C1
InChIInChI=1S/C13H11F3N4O2/c14-13(15,16)22-10-3-1-2-9(6-10)12(21)19-4-5-20-8-17-18-11(20)7-19/h1-3,6,8H,4-5,7H2
InChIKeyDKVRULXMIGDWMJ-UHFFFAOYSA-N
MW312.25 g/mol
LogP1.83
Rot. Bonds2

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

6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl-[3-(trifluoromethoxy)phenyl]methanone (PubChem CID 53193593) has the molecular formula C13H11F3N4O2 and a molecular weight of 312.25 g/mol. Its IUPAC name is 6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl-[3-(trifluoromethoxy)phenyl]methanone.

Molecular Properties

Compound Name6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl-[3-(trifluoromethoxy)phenyl]methanone
PubChem CID53193593
Molecular FormulaC13H11F3N4O2
Molecular Weight312.25 g/mol
Exact Mass312.08
IUPAC Name6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl-[3-(trifluoromethoxy)phenyl]methanone
SMILESO=C(c1cccc(OC(F)(F)F)c1)N1CCn2cnnc2C1
InChIInChI=1S/C13H11F3N4O2/c14-13(15,16)22-10-3-1-2-9(6-10)12(21)19-4-5-20-8-17-18-11(20)7-19/h1-3,6,8H,4-5,7H2
InChIKeyDKVRULXMIGDWMJ-UHFFFAOYSA-N
XLogP1.83
TPSA60.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.25
LogP ≤ 51.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl-[3-(trifluoromethoxy)phenyl]methanone?
The IUPAC name of 6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl-[3-(trifluoromethoxy)phenyl]methanone (CID 53193593) is 6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl-[3-(trifluoromethoxy)phenyl]methanone.
What is the SMILES notation for 6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl-[3-(trifluoromethoxy)phenyl]methanone?
The canonical SMILES for 6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl-[3-(trifluoromethoxy)phenyl]methanone is O=C(c1cccc(OC(F)(F)F)c1)N1CCn2cnnc2C1.
What is the InChIKey of 6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl-[3-(trifluoromethoxy)phenyl]methanone?
The InChIKey is DKVRULXMIGDWMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11F3N4O2/c14-13(15,16)22-10-3-1-2-9(6-10)12(21)19-4-5-20-8-17-18-11(20)7-19/h1-3,6,8H,4-5,7H2.
What are the key properties of 6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl-[3-(trifluoromethoxy)phenyl]methanone?
6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl-[3-(trifluoromethoxy)phenyl]methanone has a molecular weight of 312.25 g/mol, XLogP of 1.83, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl-[3-(trifluoromethoxy)phenyl]methanone is sourced from PubChem (CID 53193593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).