methyl 5-[5-(trifluoromethyl)-1H-imidazol-2-yl]pyrazine-2-carboxylate

C10H7F3N4O2 — CID 169086381

IUPACmethyl 5-[5-(trifluoromethyl)-1H-imidazol-2-yl]pyrazine-2-carboxylate
SMILESCOC(=O)c1cnc(-c2ncc(C(F)(F)F)[nH]2)cn1
InChIInChI=1S/C10H7F3N4O2/c1-19-9(18)6-3-14-5(2-15-6)8-16-4-7(17-8)10(11,12)13/h2-4H,1H3,(H,16,17)
InChIKeyAHFSCVNNHIJFKC-UHFFFAOYSA-N
MW272.19 g/mol
LogP1.67
Rot. Bonds2

About methyl 5-[5-(trifluoromethyl)-1H-imidazol-2-yl]pyrazine-2-carboxylate

methyl 5-[5-(trifluoromethyl)-1H-imidazol-2-yl]pyrazine-2-carboxylate (PubChem CID 169086381) has the molecular formula C10H7F3N4O2 and a molecular weight of 272.19 g/mol. Its IUPAC name is methyl 5-[5-(trifluoromethyl)-1H-imidazol-2-yl]pyrazine-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-[5-(trifluoromethyl)-1H-imidazol-2-yl]pyrazine-2-carboxylate
PubChem CID169086381
Molecular FormulaC10H7F3N4O2
Molecular Weight272.19 g/mol
Exact Mass272.05
IUPAC Namemethyl 5-[5-(trifluoromethyl)-1H-imidazol-2-yl]pyrazine-2-carboxylate
SMILESCOC(=O)c1cnc(-c2ncc(C(F)(F)F)[nH]2)cn1
InChIInChI=1S/C10H7F3N4O2/c1-19-9(18)6-3-14-5(2-15-6)8-16-4-7(17-8)10(11,12)13/h2-4H,1H3,(H,16,17)
InChIKeyAHFSCVNNHIJFKC-UHFFFAOYSA-N
XLogP1.67
TPSA80.76 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.19
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 5-[5-(trifluoromethyl)-1H-imidazol-2-yl]pyrazine-2-carboxylate?
The IUPAC name of methyl 5-[5-(trifluoromethyl)-1H-imidazol-2-yl]pyrazine-2-carboxylate (CID 169086381) is methyl 5-[5-(trifluoromethyl)-1H-imidazol-2-yl]pyrazine-2-carboxylate.
What is the SMILES notation for methyl 5-[5-(trifluoromethyl)-1H-imidazol-2-yl]pyrazine-2-carboxylate?
The canonical SMILES for methyl 5-[5-(trifluoromethyl)-1H-imidazol-2-yl]pyrazine-2-carboxylate is COC(=O)c1cnc(-c2ncc(C(F)(F)F)[nH]2)cn1.
What is the InChIKey of methyl 5-[5-(trifluoromethyl)-1H-imidazol-2-yl]pyrazine-2-carboxylate?
The InChIKey is AHFSCVNNHIJFKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7F3N4O2/c1-19-9(18)6-3-14-5(2-15-6)8-16-4-7(17-8)10(11,12)13/h2-4H,1H3,(H,16,17).
What are the key properties of methyl 5-[5-(trifluoromethyl)-1H-imidazol-2-yl]pyrazine-2-carboxylate?
methyl 5-[5-(trifluoromethyl)-1H-imidazol-2-yl]pyrazine-2-carboxylate has a molecular weight of 272.19 g/mol, XLogP of 1.67, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[5-(trifluoromethyl)-1H-imidazol-2-yl]pyrazine-2-carboxylate is sourced from PubChem (CID 169086381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).