5-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]pyrazin-2-amine

C9H8F3N5 — CID 171530449

IUPAC5-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]pyrazin-2-amine
SMILESCn1cc(C(F)(F)F)nc1-c1cnc(N)cn1
InChIInChI=1S/C9H8F3N5/c1-17-4-6(9(10,11)12)16-8(17)5-2-15-7(13)3-14-5/h2-4H,1H3,(H2,13,15)
InChIKeyXNNSUKPOVUGSCI-UHFFFAOYSA-N
MW243.19 g/mol
LogP1.48
Rot. Bonds1

About 5-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]pyrazin-2-amine

5-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]pyrazin-2-amine (PubChem CID 171530449) has the molecular formula C9H8F3N5 and a molecular weight of 243.19 g/mol. Its IUPAC name is 5-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]pyrazin-2-amine.

Molecular Properties

Compound Name5-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]pyrazin-2-amine
PubChem CID171530449
Molecular FormulaC9H8F3N5
Molecular Weight243.19 g/mol
Exact Mass243.07
IUPAC Name5-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]pyrazin-2-amine
SMILESCn1cc(C(F)(F)F)nc1-c1cnc(N)cn1
InChIInChI=1S/C9H8F3N5/c1-17-4-6(9(10,11)12)16-8(17)5-2-15-7(13)3-14-5/h2-4H,1H3,(H2,13,15)
InChIKeyXNNSUKPOVUGSCI-UHFFFAOYSA-N
XLogP1.48
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.19
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]pyrazin-2-amine?
The IUPAC name of 5-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]pyrazin-2-amine (CID 171530449) is 5-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]pyrazin-2-amine.
What is the SMILES notation for 5-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]pyrazin-2-amine?
The canonical SMILES for 5-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]pyrazin-2-amine is Cn1cc(C(F)(F)F)nc1-c1cnc(N)cn1.
What is the InChIKey of 5-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]pyrazin-2-amine?
The InChIKey is XNNSUKPOVUGSCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8F3N5/c1-17-4-6(9(10,11)12)16-8(17)5-2-15-7(13)3-14-5/h2-4H,1H3,(H2,13,15).
What are the key properties of 5-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]pyrazin-2-amine?
5-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]pyrazin-2-amine has a molecular weight of 243.19 g/mol, XLogP of 1.48, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]pyrazin-2-amine is sourced from PubChem (CID 171530449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).