3-(trifluoromethyl)-7H-[1,2,4]triazolo[4,3-a]pyrazin-8-one

C6H3F3N4O — CID 121415333

IUPAC3-(trifluoromethyl)-7H-[1,2,4]triazolo[4,3-a]pyrazin-8-one
SMILESO=c1[nH]ccn2c(C(F)(F)F)nnc12
InChIInChI=1S/C6H3F3N4O/c7-6(8,9)5-12-11-3-4(14)10-1-2-13(3)5/h1-2H,(H,10,14)
InChIKeyAKSBEPXPVPRRHX-UHFFFAOYSA-N
MW204.11 g/mol
LogP0.44
Rot. Bonds

About 3-(trifluoromethyl)-7H-[1,2,4]triazolo[4,3-a]pyrazin-8-one

3-(trifluoromethyl)-7H-[1,2,4]triazolo[4,3-a]pyrazin-8-one (PubChem CID 121415333) has the molecular formula C6H3F3N4O and a molecular weight of 204.11 g/mol. Its IUPAC name is 3-(trifluoromethyl)-7H-[1,2,4]triazolo[4,3-a]pyrazin-8-one.

Molecular Properties

Compound Name3-(trifluoromethyl)-7H-[1,2,4]triazolo[4,3-a]pyrazin-8-one
PubChem CID121415333
Molecular FormulaC6H3F3N4O
Molecular Weight204.11 g/mol
Exact Mass204.03
IUPAC Name3-(trifluoromethyl)-7H-[1,2,4]triazolo[4,3-a]pyrazin-8-one
SMILESO=c1[nH]ccn2c(C(F)(F)F)nnc12
InChIInChI=1S/C6H3F3N4O/c7-6(8,9)5-12-11-3-4(14)10-1-2-13(3)5/h1-2H,(H,10,14)
InChIKeyAKSBEPXPVPRRHX-UHFFFAOYSA-N
XLogP0.44
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.11
LogP ≤ 50.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(trifluoromethyl)-7H-[1,2,4]triazolo[4,3-a]pyrazin-8-one?
The IUPAC name of 3-(trifluoromethyl)-7H-[1,2,4]triazolo[4,3-a]pyrazin-8-one (CID 121415333) is 3-(trifluoromethyl)-7H-[1,2,4]triazolo[4,3-a]pyrazin-8-one.
What is the SMILES notation for 3-(trifluoromethyl)-7H-[1,2,4]triazolo[4,3-a]pyrazin-8-one?
The canonical SMILES for 3-(trifluoromethyl)-7H-[1,2,4]triazolo[4,3-a]pyrazin-8-one is O=c1[nH]ccn2c(C(F)(F)F)nnc12.
What is the InChIKey of 3-(trifluoromethyl)-7H-[1,2,4]triazolo[4,3-a]pyrazin-8-one?
The InChIKey is AKSBEPXPVPRRHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H3F3N4O/c7-6(8,9)5-12-11-3-4(14)10-1-2-13(3)5/h1-2H,(H,10,14).
What are the key properties of 3-(trifluoromethyl)-7H-[1,2,4]triazolo[4,3-a]pyrazin-8-one?
3-(trifluoromethyl)-7H-[1,2,4]triazolo[4,3-a]pyrazin-8-one has a molecular weight of 204.11 g/mol, XLogP of 0.44, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(trifluoromethyl)-7H-[1,2,4]triazolo[4,3-a]pyrazin-8-one is sourced from PubChem (CID 121415333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).