6-(2,5-dimethylimidazol-1-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine

C16H14F3N5 — CID 118094327

IUPAC6-(2,5-dimethylimidazol-1-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine
SMILESCc1cnc(C)n1-c1cncc(Nc2ccc(C(F)(F)F)cc2)n1
InChIInChI=1S/C16H14F3N5/c1-10-7-21-11(2)24(10)15-9-20-8-14(23-15)22-13-5-3-12(4-6-13)16(17,18)19/h3-9H,1-2H3,(H,22,23)
InChIKeyKPXLYESQNRZKRS-UHFFFAOYSA-N
MW333.32 g/mol
LogP4.04
Rot. Bonds3

About 6-(2,5-dimethylimidazol-1-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine

6-(2,5-dimethylimidazol-1-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine (PubChem CID 118094327) has the molecular formula C16H14F3N5 and a molecular weight of 333.32 g/mol. Its IUPAC name is 6-(2,5-dimethylimidazol-1-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine.

Molecular Properties

Compound Name6-(2,5-dimethylimidazol-1-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine
PubChem CID118094327
Molecular FormulaC16H14F3N5
Molecular Weight333.32 g/mol
Exact Mass333.12
IUPAC Name6-(2,5-dimethylimidazol-1-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine
SMILESCc1cnc(C)n1-c1cncc(Nc2ccc(C(F)(F)F)cc2)n1
InChIInChI=1S/C16H14F3N5/c1-10-7-21-11(2)24(10)15-9-20-8-14(23-15)22-13-5-3-12(4-6-13)16(17,18)19/h3-9H,1-2H3,(H,22,23)
InChIKeyKPXLYESQNRZKRS-UHFFFAOYSA-N
XLogP4.04
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.32
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

zinc;6-(4-bromo-2,5-dimethylimidazol-1-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine;carbanide;6-(4,5-dibromo-2-methylimidazol-1-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine;6-(2,5-dimethylimidazol-1-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine
CID 162123515
6-(5,6-difluoro-2-methylbenzimidazol-1-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine
CID 73427235
6-(6-methoxy-2-methylbenzimidazol-1-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine
CID 118095066
6-(5-chloro-2-methylbenzimidazol-1-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine;6-(6-chloro-2-methylbenzimidazol-1-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine
CID 118094765
N-methyl-1-[6-[4-(trifluoromethyl)anilino]pyrazin-2-yl]benzimidazol-2-amine
CID 118094951
6-(2-chlorobenzimidazol-1-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine
CID 118095062
6-(2-ethyl-6-fluorobenzimidazol-1-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine
CID 118095108
6-(2-propan-2-ylbenzimidazol-1-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine
CID 118094427
6-(2-ethylsulfanylbenzimidazol-1-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine
CID 118095114
6-(2-methyl-4-pyridinyl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine
CID 118094690
[(1S)-1-[1-[6-[4-(trifluoromethyl)anilino]pyrazin-2-yl]benzimidazol-2-yl]ethyl] acetate
CID 118101400
6-(6-fluoro-2-methylbenzimidazol-1-yl)-N-(4-methylphenyl)pyrazin-2-amine
CID 118094365

Frequently Asked Questions

What is the IUPAC name of 6-(2,5-dimethylimidazol-1-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine?
The IUPAC name of 6-(2,5-dimethylimidazol-1-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine (CID 118094327) is 6-(2,5-dimethylimidazol-1-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine.
What is the SMILES notation for 6-(2,5-dimethylimidazol-1-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine?
The canonical SMILES for 6-(2,5-dimethylimidazol-1-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine is Cc1cnc(C)n1-c1cncc(Nc2ccc(C(F)(F)F)cc2)n1.
What is the InChIKey of 6-(2,5-dimethylimidazol-1-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine?
The InChIKey is KPXLYESQNRZKRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14F3N5/c1-10-7-21-11(2)24(10)15-9-20-8-14(23-15)22-13-5-3-12(4-6-13)16(17,18)19/h3-9H,1-2H3,(H,22,23).
What are the key properties of 6-(2,5-dimethylimidazol-1-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine?
6-(2,5-dimethylimidazol-1-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine has a molecular weight of 333.32 g/mol, XLogP of 4.04, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,5-dimethylimidazol-1-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine is sourced from PubChem (CID 118094327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).