8-[(2-fluorophenyl)methyl]-1-methyl-6-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]-8aH-[1,2,4]triazolo[1,5-a]pyrazine

C16H13F4N7 — CID 170086793

IUPAC8-[(2-fluorophenyl)methyl]-1-methyl-6-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]-8aH-[1,2,4]triazolo[1,5-a]pyrazine
SMILESCN1C=NN2C=C(c3n[nH]c(C(F)(F)F)n3)N=C(Cc3ccccc3F)C12
InChIInChI=1S/C16H13F4N7/c1-26-8-21-27-7-12(13-23-15(25-24-13)16(18,19)20)22-11(14(26)27)6-9-4-2-3-5-10(9)17/h2-5,7-8,14H,6H2,1H3,(H,23,24,25)
InChIKeyMEOPXIHMFGWIJD-UHFFFAOYSA-N
MW379.32 g/mol
LogP2.48
Rot. Bonds3

About 8-[(2-fluorophenyl)methyl]-1-methyl-6-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]-8aH-[1,2,4]triazolo[1,5-a]pyrazine

8-[(2-fluorophenyl)methyl]-1-methyl-6-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]-8aH-[1,2,4]triazolo[1,5-a]pyrazine (PubChem CID 170086793) has the molecular formula C16H13F4N7 and a molecular weight of 379.32 g/mol. Its IUPAC name is 8-[(2-fluorophenyl)methyl]-1-methyl-6-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]-8aH-[1,2,4]triazolo[1,5-a]pyrazine.

Molecular Properties

Compound Name8-[(2-fluorophenyl)methyl]-1-methyl-6-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]-8aH-[1,2,4]triazolo[1,5-a]pyrazine
PubChem CID170086793
Molecular FormulaC16H13F4N7
Molecular Weight379.32 g/mol
Exact Mass379.12
IUPAC Name8-[(2-fluorophenyl)methyl]-1-methyl-6-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]-8aH-[1,2,4]triazolo[1,5-a]pyrazine
SMILESCN1C=NN2C=C(c3n[nH]c(C(F)(F)F)n3)N=C(Cc3ccccc3F)C12
InChIInChI=1S/C16H13F4N7/c1-26-8-21-27-7-12(13-23-15(25-24-13)16(18,19)20)22-11(14(26)27)6-9-4-2-3-5-10(9)17/h2-5,7-8,14H,6H2,1H3,(H,23,24,25)
InChIKeyMEOPXIHMFGWIJD-UHFFFAOYSA-N
XLogP2.48
TPSA72.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.32
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 8-[(2-fluorophenyl)methyl]-1-methyl-6-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]-8aH-[1,2,4]triazolo[1,5-a]pyrazine with MolForge

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Related Compounds

8-[(2-fluorophenyl)methyl]-3-iodo-6-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]imidazo[1,2-a]pyrazine
CID 134304600
CID 156868761
CID 156868761
CID 156868740
CID 156868740
butan-2-one;8-[(2-fluorophenyl)methyl]-6-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]imidazo[1,2-a]pyrazine
CID 139467739
ethyl acetate;8-[(2-fluorophenyl)methyl]-6-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]imidazo[1,2-a]pyrazine
CID 139467151
N-[(2-fluorophenyl)methyl]-3-[5-(trifluoromethyl)-1H-1,2,4-triazole-3-carboximidoyl]pyridin-2-amine
CID 137317208
N,N-di(propan-2-yl)-2-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]benzamide
CID 72868876
5-[(2-fluorophenyl)methyl]-4-(4-methylpiperazin-1-yl)-2-pyridin-2-ylpyrimidine
CID 51042448
2-(trifluoromethyl)-5-[6-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]-2-pyridinyl]pyrimidine
CID 153425457
3-(4-tert-butylphenyl)-5-(trifluoromethyl)-1H-1,2,4-triazole
CID 66487057
bis(2-(2,4-difluorophenyl)pyridine);indium(3+);2-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]pyridine
CID 159112351
N-benzyl-5-(trifluoromethyl)-1H-1,2,4-triazol-3-amine
CID 121248464

Frequently Asked Questions

What is the IUPAC name of 8-[(2-fluorophenyl)methyl]-1-methyl-6-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]-8aH-[1,2,4]triazolo[1,5-a]pyrazine?
The IUPAC name of 8-[(2-fluorophenyl)methyl]-1-methyl-6-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]-8aH-[1,2,4]triazolo[1,5-a]pyrazine (CID 170086793) is 8-[(2-fluorophenyl)methyl]-1-methyl-6-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]-8aH-[1,2,4]triazolo[1,5-a]pyrazine.
What is the SMILES notation for 8-[(2-fluorophenyl)methyl]-1-methyl-6-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]-8aH-[1,2,4]triazolo[1,5-a]pyrazine?
The canonical SMILES for 8-[(2-fluorophenyl)methyl]-1-methyl-6-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]-8aH-[1,2,4]triazolo[1,5-a]pyrazine is CN1C=NN2C=C(c3n[nH]c(C(F)(F)F)n3)N=C(Cc3ccccc3F)C12.
What is the InChIKey of 8-[(2-fluorophenyl)methyl]-1-methyl-6-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]-8aH-[1,2,4]triazolo[1,5-a]pyrazine?
The InChIKey is MEOPXIHMFGWIJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13F4N7/c1-26-8-21-27-7-12(13-23-15(25-24-13)16(18,19)20)22-11(14(26)27)6-9-4-2-3-5-10(9)17/h2-5,7-8,14H,6H2,1H3,(H,23,24,25).
What are the key properties of 8-[(2-fluorophenyl)methyl]-1-methyl-6-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]-8aH-[1,2,4]triazolo[1,5-a]pyrazine?
8-[(2-fluorophenyl)methyl]-1-methyl-6-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]-8aH-[1,2,4]triazolo[1,5-a]pyrazine has a molecular weight of 379.32 g/mol, XLogP of 2.48, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[(2-fluorophenyl)methyl]-1-methyl-6-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]-8aH-[1,2,4]triazolo[1,5-a]pyrazine is sourced from PubChem (CID 170086793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).