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

C16H9F4IN6 — CID 134304600

IUPAC8-[(2-fluorophenyl)methyl]-3-iodo-6-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]imidazo[1,2-a]pyrazine
SMILESFc1ccccc1Cc1nc(-c2n[nH]c(C(F)(F)F)n2)cn2c(I)cnc12
InChIInChI=1S/C16H9F4IN6/c17-9-4-2-1-3-8(9)5-10-14-22-6-12(21)27(14)7-11(23-10)13-24-15(26-25-13)16(18,19)20/h1-4,6-7H,5H2,(H,24,25,26)
InChIKeyIAKPTHYTPQBDLV-UHFFFAOYSA-N
MW488.19 g/mol
LogP3.87
Rot. Bonds3

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

8-[(2-fluorophenyl)methyl]-3-iodo-6-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]imidazo[1,2-a]pyrazine (PubChem CID 134304600) has the molecular formula C16H9F4IN6 and a molecular weight of 488.19 g/mol. Its IUPAC name is 8-[(2-fluorophenyl)methyl]-3-iodo-6-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]imidazo[1,2-a]pyrazine.

Molecular Properties

Compound Name8-[(2-fluorophenyl)methyl]-3-iodo-6-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]imidazo[1,2-a]pyrazine
PubChem CID134304600
Molecular FormulaC16H9F4IN6
Molecular Weight488.19 g/mol
Exact Mass487.99
IUPAC Name8-[(2-fluorophenyl)methyl]-3-iodo-6-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]imidazo[1,2-a]pyrazine
SMILESFc1ccccc1Cc1nc(-c2n[nH]c(C(F)(F)F)n2)cn2c(I)cnc12
InChIInChI=1S/C16H9F4IN6/c17-9-4-2-1-3-8(9)5-10-14-22-6-12(21)27(14)7-11(23-10)13-24-15(26-25-13)16(18,19)20/h1-4,6-7H,5H2,(H,24,25,26)
InChIKeyIAKPTHYTPQBDLV-UHFFFAOYSA-N
XLogP3.87
TPSA71.76 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.19
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

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
1-[[2-[3-chloro-8-[(2-fluorophenyl)methyl]imidazo[1,2-a]pyrazin-6-yl]-5-fluoropyrimidin-4-yl]amino]-2-methylpropan-2-ol
CID 142611039
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
8-[(2-fluorophenyl)methyl]imidazo[1,5-a]pyrimidine-6-carboxylic acid
CID 141366500
2-fluoro-6-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]pyridine
CID 167843343
1-(pyrimidin-5-ylmethyl)-3-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]imidazo[1,5-a]pyridine
CID 56598462
2-[8-[(2-fluorophenyl)methyl]-[1,2,4]triazolo[1,5-a]pyrazin-6-yl]-4-[[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propyl]amino]pyrimidine-5-carbonitrile
CID 142611034
1-[(2,5-difluorophenyl)methyl]-3-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]pyrazolo[5,4-b]pyridine
CID 134498648

Frequently Asked Questions

What is the IUPAC name of 8-[(2-fluorophenyl)methyl]-3-iodo-6-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]imidazo[1,2-a]pyrazine?
The IUPAC name of 8-[(2-fluorophenyl)methyl]-3-iodo-6-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]imidazo[1,2-a]pyrazine (CID 134304600) is 8-[(2-fluorophenyl)methyl]-3-iodo-6-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]imidazo[1,2-a]pyrazine.
What is the SMILES notation for 8-[(2-fluorophenyl)methyl]-3-iodo-6-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]imidazo[1,2-a]pyrazine?
The canonical SMILES for 8-[(2-fluorophenyl)methyl]-3-iodo-6-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]imidazo[1,2-a]pyrazine is Fc1ccccc1Cc1nc(-c2n[nH]c(C(F)(F)F)n2)cn2c(I)cnc12.
What is the InChIKey of 8-[(2-fluorophenyl)methyl]-3-iodo-6-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]imidazo[1,2-a]pyrazine?
The InChIKey is IAKPTHYTPQBDLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H9F4IN6/c17-9-4-2-1-3-8(9)5-10-14-22-6-12(21)27(14)7-11(23-10)13-24-15(26-25-13)16(18,19)20/h1-4,6-7H,5H2,(H,24,25,26).
What are the key properties of 8-[(2-fluorophenyl)methyl]-3-iodo-6-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]imidazo[1,2-a]pyrazine?
8-[(2-fluorophenyl)methyl]-3-iodo-6-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]imidazo[1,2-a]pyrazine has a molecular weight of 488.19 g/mol, XLogP of 3.87, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[(2-fluorophenyl)methyl]-3-iodo-6-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]imidazo[1,2-a]pyrazine is sourced from PubChem (CID 134304600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).