N,N-dimethyl-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyrazin-5-amine

C8H8F3N5 — CID 118136414

IUPACN,N-dimethyl-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyrazin-5-amine
SMILESCN(C)c1cncc2nnc(C(F)(F)F)n12
InChIInChI=1S/C8H8F3N5/c1-15(2)6-4-12-3-5-13-14-7(16(5)6)8(9,10)11/h3-4H,1-2H3
InChIKeyFZYSOXCAWPDOCV-UHFFFAOYSA-N
MW231.18 g/mol
LogP1.21
Rot. Bonds1

About N,N-dimethyl-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyrazin-5-amine

N,N-dimethyl-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyrazin-5-amine (PubChem CID 118136414) has the molecular formula C8H8F3N5 and a molecular weight of 231.18 g/mol. Its IUPAC name is N,N-dimethyl-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyrazin-5-amine.

Molecular Properties

Compound NameN,N-dimethyl-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyrazin-5-amine
PubChem CID118136414
Molecular FormulaC8H8F3N5
Molecular Weight231.18 g/mol
Exact Mass231.07
IUPAC NameN,N-dimethyl-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyrazin-5-amine
SMILESCN(C)c1cncc2nnc(C(F)(F)F)n12
InChIInChI=1S/C8H8F3N5/c1-15(2)6-4-12-3-5-13-14-7(16(5)6)8(9,10)11/h3-4H,1-2H3
InChIKeyFZYSOXCAWPDOCV-UHFFFAOYSA-N
XLogP1.21
TPSA46.32 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.18
LogP ≤ 51.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyrazin-5-amine?
The IUPAC name of N,N-dimethyl-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyrazin-5-amine (CID 118136414) is N,N-dimethyl-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyrazin-5-amine.
What is the SMILES notation for N,N-dimethyl-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyrazin-5-amine?
The canonical SMILES for N,N-dimethyl-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyrazin-5-amine is CN(C)c1cncc2nnc(C(F)(F)F)n12.
What is the InChIKey of N,N-dimethyl-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyrazin-5-amine?
The InChIKey is FZYSOXCAWPDOCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8F3N5/c1-15(2)6-4-12-3-5-13-14-7(16(5)6)8(9,10)11/h3-4H,1-2H3.
What are the key properties of N,N-dimethyl-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyrazin-5-amine?
N,N-dimethyl-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyrazin-5-amine has a molecular weight of 231.18 g/mol, XLogP of 1.21, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyrazin-5-amine is sourced from PubChem (CID 118136414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).