butan-2-one;8-[(2-fluorophenyl)methyl]-6-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]imidazo[1,2-a]pyrazine

C20H18F4N6O — CID 139467739

IUPACbutan-2-one;8-[(2-fluorophenyl)methyl]-6-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]imidazo[1,2-a]pyrazine
SMILESCCC(C)=O.Fc1ccccc1Cc1nc(-c2n[nH]c(C(F)(F)F)n2)cn2ccnc12
InChIInChI=1S/C16H10F4N6.C4H8O/c17-10-4-2-1-3-9(10)7-11-14-21-5-6-26(14)8-12(22-11)13-23-15(25-24-13)16(18,19)20;1-3-4(2)5/h1-6,8H,7H2,(H,23,24,25);3H2,1-2H3
InChIKeyDRWXGFBLBZINQW-UHFFFAOYSA-N
MW434.40 g/mol
LogP4.25
Rot. Bonds4

About butan-2-one;8-[(2-fluorophenyl)methyl]-6-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]imidazo[1,2-a]pyrazine

butan-2-one;8-[(2-fluorophenyl)methyl]-6-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]imidazo[1,2-a]pyrazine (PubChem CID 139467739) has the molecular formula C20H18F4N6O and a molecular weight of 434.40 g/mol. Its IUPAC name is butan-2-one;8-[(2-fluorophenyl)methyl]-6-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]imidazo[1,2-a]pyrazine.

Molecular Properties

Compound Namebutan-2-one;8-[(2-fluorophenyl)methyl]-6-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]imidazo[1,2-a]pyrazine
PubChem CID139467739
Molecular FormulaC20H18F4N6O
Molecular Weight434.40 g/mol
Exact Mass434.15
IUPAC Namebutan-2-one;8-[(2-fluorophenyl)methyl]-6-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]imidazo[1,2-a]pyrazine
SMILESCCC(C)=O.Fc1ccccc1Cc1nc(-c2n[nH]c(C(F)(F)F)n2)cn2ccnc12
InChIInChI=1S/C16H10F4N6.C4H8O/c17-10-4-2-1-3-9(10)7-11-14-21-5-6-26(14)8-12(22-11)13-23-15(25-24-13)16(18,19)20;1-3-4(2)5/h1-6,8H,7H2,(H,23,24,25);3H2,1-2H3
InChIKeyDRWXGFBLBZINQW-UHFFFAOYSA-N
XLogP4.25
TPSA88.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.40
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl acetate;8-[(2-fluorophenyl)methyl]-6-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]imidazo[1,2-a]pyrazine
CID 139467151
8-[(2-fluorophenyl)methyl]-3-iodo-6-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]imidazo[1,2-a]pyrazine
CID 134304600
CID 156868740
CID 156868740
CID 156868761
CID 156868761
N'-amino-8-[(2-fluorophenyl)methyl]imidazo[1,2-a]pyrazine-6-carboximidamide
CID 154003447
(5S)-4-amino-5-(4-fluoro-3-hydroxyphenyl)-2-[8-[(2-fluorophenyl)methyl]imidazo[1,2-a]pyrazin-6-yl]-5-methyl-7H-pyrrolo[2,3-d]pyrimidin-6-one
CID 145404344
8-[(2-fluorophenyl)methyl]imidazo[1,5-a]pyrimidine-6-carboxylic acid
CID 141366500
sodium 2-[8-[(2,5-difluorophenyl)methyl]imidazo[1,2-a]pyrazin-6-yl]-5-fluoropyrimidin-4-olate
CID 166087121
2-[8-[(2,5-difluoro-4-methylphenyl)methyl]imidazo[1,2-a]pyrazin-6-yl]-5-fluoro-4-hydroxy-1H-pyrimidin-6-one
CID 171526186
5-fluoro-2-[8-[(3-methylphenyl)methyl]imidazo[1,2-a]pyrazin-6-yl]-1H-pyrimidin-6-one
CID 171526354
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
6-fluoro-2-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]imidazo[1,2-a]pyrimidine
CID 171521953

Frequently Asked Questions

What is the IUPAC name of butan-2-one;8-[(2-fluorophenyl)methyl]-6-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]imidazo[1,2-a]pyrazine?
The IUPAC name of butan-2-one;8-[(2-fluorophenyl)methyl]-6-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]imidazo[1,2-a]pyrazine (CID 139467739) is butan-2-one;8-[(2-fluorophenyl)methyl]-6-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]imidazo[1,2-a]pyrazine.
What is the SMILES notation for butan-2-one;8-[(2-fluorophenyl)methyl]-6-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]imidazo[1,2-a]pyrazine?
The canonical SMILES for butan-2-one;8-[(2-fluorophenyl)methyl]-6-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]imidazo[1,2-a]pyrazine is CCC(C)=O.Fc1ccccc1Cc1nc(-c2n[nH]c(C(F)(F)F)n2)cn2ccnc12.
What is the InChIKey of butan-2-one;8-[(2-fluorophenyl)methyl]-6-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]imidazo[1,2-a]pyrazine?
The InChIKey is DRWXGFBLBZINQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10F4N6.C4H8O/c17-10-4-2-1-3-9(10)7-11-14-21-5-6-26(14)8-12(22-11)13-23-15(25-24-13)16(18,19)20;1-3-4(2)5/h1-6,8H,7H2,(H,23,24,25);3H2,1-2H3.
What are the key properties of butan-2-one;8-[(2-fluorophenyl)methyl]-6-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]imidazo[1,2-a]pyrazine?
butan-2-one;8-[(2-fluorophenyl)methyl]-6-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]imidazo[1,2-a]pyrazine has a molecular weight of 434.40 g/mol, XLogP of 4.25, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for butan-2-one;8-[(2-fluorophenyl)methyl]-6-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]imidazo[1,2-a]pyrazine is sourced from PubChem (CID 139467739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).