2-bromo-8-[[1-(trifluoromethyl)cyclopropyl]methoxy]-[1,2,4]triazolo[1,5-a]pyrazine

C10H8BrF3N4O — CID 129216614

IUPAC2-bromo-8-[[1-(trifluoromethyl)cyclopropyl]methoxy]-[1,2,4]triazolo[1,5-a]pyrazine
SMILESFC(F)(F)C1(COc2nccn3nc(Br)nc23)CC1
InChIInChI=1S/C10H8BrF3N4O/c11-8-16-6-7(15-3-4-18(6)17-8)19-5-9(1-2-9)10(12,13)14/h3-4H,1-2,5H2
InChIKeyNXBOIKFWZCRSEB-UHFFFAOYSA-N
MW337.10 g/mol
LogP2.61
Rot. Bonds3

About 2-bromo-8-[[1-(trifluoromethyl)cyclopropyl]methoxy]-[1,2,4]triazolo[1,5-a]pyrazine

2-bromo-8-[[1-(trifluoromethyl)cyclopropyl]methoxy]-[1,2,4]triazolo[1,5-a]pyrazine (PubChem CID 129216614) has the molecular formula C10H8BrF3N4O and a molecular weight of 337.10 g/mol. Its IUPAC name is 2-bromo-8-[[1-(trifluoromethyl)cyclopropyl]methoxy]-[1,2,4]triazolo[1,5-a]pyrazine.

Molecular Properties

Compound Name2-bromo-8-[[1-(trifluoromethyl)cyclopropyl]methoxy]-[1,2,4]triazolo[1,5-a]pyrazine
PubChem CID129216614
Molecular FormulaC10H8BrF3N4O
Molecular Weight337.10 g/mol
Exact Mass335.98
IUPAC Name2-bromo-8-[[1-(trifluoromethyl)cyclopropyl]methoxy]-[1,2,4]triazolo[1,5-a]pyrazine
SMILESFC(F)(F)C1(COc2nccn3nc(Br)nc23)CC1
InChIInChI=1S/C10H8BrF3N4O/c11-8-16-6-7(15-3-4-18(6)17-8)19-5-9(1-2-9)10(12,13)14/h3-4H,1-2,5H2
InChIKeyNXBOIKFWZCRSEB-UHFFFAOYSA-N
XLogP2.61
TPSA52.31 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.10
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-bromo-8-[[1-(trifluoromethyl)cyclopropyl]methoxy]-[1,2,4]triazolo[1,5-a]pyrazine 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 2-bromo-8-[[1-(trifluoromethyl)cyclopropyl]methoxy]-[1,2,4]triazolo[1,5-a]pyrazine?
The IUPAC name of 2-bromo-8-[[1-(trifluoromethyl)cyclopropyl]methoxy]-[1,2,4]triazolo[1,5-a]pyrazine (CID 129216614) is 2-bromo-8-[[1-(trifluoromethyl)cyclopropyl]methoxy]-[1,2,4]triazolo[1,5-a]pyrazine.
What is the SMILES notation for 2-bromo-8-[[1-(trifluoromethyl)cyclopropyl]methoxy]-[1,2,4]triazolo[1,5-a]pyrazine?
The canonical SMILES for 2-bromo-8-[[1-(trifluoromethyl)cyclopropyl]methoxy]-[1,2,4]triazolo[1,5-a]pyrazine is FC(F)(F)C1(COc2nccn3nc(Br)nc23)CC1.
What is the InChIKey of 2-bromo-8-[[1-(trifluoromethyl)cyclopropyl]methoxy]-[1,2,4]triazolo[1,5-a]pyrazine?
The InChIKey is NXBOIKFWZCRSEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8BrF3N4O/c11-8-16-6-7(15-3-4-18(6)17-8)19-5-9(1-2-9)10(12,13)14/h3-4H,1-2,5H2.
What are the key properties of 2-bromo-8-[[1-(trifluoromethyl)cyclopropyl]methoxy]-[1,2,4]triazolo[1,5-a]pyrazine?
2-bromo-8-[[1-(trifluoromethyl)cyclopropyl]methoxy]-[1,2,4]triazolo[1,5-a]pyrazine has a molecular weight of 337.10 g/mol, XLogP of 2.61, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-8-[[1-(trifluoromethyl)cyclopropyl]methoxy]-[1,2,4]triazolo[1,5-a]pyrazine is sourced from PubChem (CID 129216614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).