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

C7H8F3N5O — CID 64575211

IUPAC3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carboxamide
SMILESNC(=O)N1CCn2c(nnc2C(F)(F)F)C1
InChIInChI=1S/C7H8F3N5O/c8-7(9,10)5-13-12-4-3-14(6(11)16)1-2-15(4)5/h1-3H2,(H2,11,16)
InChIKeyUBKISGCBFHYYTP-UHFFFAOYSA-N
MW235.17 g/mol
LogP0.19
Rot. Bonds

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

3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carboxamide (PubChem CID 64575211) has the molecular formula C7H8F3N5O and a molecular weight of 235.17 g/mol. Its IUPAC name is 3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carboxamide.

Molecular Properties

Compound Name3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carboxamide
PubChem CID64575211
Molecular FormulaC7H8F3N5O
Molecular Weight235.17 g/mol
Exact Mass235.07
IUPAC Name3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carboxamide
SMILESNC(=O)N1CCn2c(nnc2C(F)(F)F)C1
InChIInChI=1S/C7H8F3N5O/c8-7(9,10)5-13-12-4-3-14(6(11)16)1-2-15(4)5/h1-3H2,(H2,11,16)
InChIKeyUBKISGCBFHYYTP-UHFFFAOYSA-N
XLogP0.19
TPSA77.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.17
LogP ≤ 50.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carboxamide?
The IUPAC name of 3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carboxamide (CID 64575211) is 3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carboxamide.
What is the SMILES notation for 3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carboxamide?
The canonical SMILES for 3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carboxamide is NC(=O)N1CCn2c(nnc2C(F)(F)F)C1.
What is the InChIKey of 3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carboxamide?
The InChIKey is UBKISGCBFHYYTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8F3N5O/c8-7(9,10)5-13-12-4-3-14(6(11)16)1-2-15(4)5/h1-3H2,(H2,11,16).
What are the key properties of 3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carboxamide?
3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carboxamide has a molecular weight of 235.17 g/mol, XLogP of 0.19, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carboxamide is sourced from PubChem (CID 64575211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).