N-methyl-N-[3-(trifluoromethyl)phenyl]pyrazin-2-amine

C12H10F3N3 — CID 71330634

IUPACN-methyl-N-[3-(trifluoromethyl)phenyl]pyrazin-2-amine
SMILESCN(c1cccc(C(F)(F)F)c1)c1cnccn1
InChIInChI=1S/C12H10F3N3/c1-18(11-8-16-5-6-17-11)10-4-2-3-9(7-10)12(13,14)15/h2-8H,1H3
InChIKeyKWUHAUGMUXHLAS-UHFFFAOYSA-N
MW253.23 g/mol
LogP3.26
Rot. Bonds2

About N-methyl-N-[3-(trifluoromethyl)phenyl]pyrazin-2-amine

N-methyl-N-[3-(trifluoromethyl)phenyl]pyrazin-2-amine (PubChem CID 71330634) has the molecular formula C12H10F3N3 and a molecular weight of 253.23 g/mol. Its IUPAC name is N-methyl-N-[3-(trifluoromethyl)phenyl]pyrazin-2-amine.

Molecular Properties

Compound NameN-methyl-N-[3-(trifluoromethyl)phenyl]pyrazin-2-amine
PubChem CID71330634
Molecular FormulaC12H10F3N3
Molecular Weight253.23 g/mol
Exact Mass253.08
IUPAC NameN-methyl-N-[3-(trifluoromethyl)phenyl]pyrazin-2-amine
SMILESCN(c1cccc(C(F)(F)F)c1)c1cnccn1
InChIInChI=1S/C12H10F3N3/c1-18(11-8-16-5-6-17-11)10-4-2-3-9(7-10)12(13,14)15/h2-8H,1H3
InChIKeyKWUHAUGMUXHLAS-UHFFFAOYSA-N
XLogP3.26
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.23
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[3-(trifluoromethyl)phenyl]pyrazin-2-amine?
The IUPAC name of N-methyl-N-[3-(trifluoromethyl)phenyl]pyrazin-2-amine (CID 71330634) is N-methyl-N-[3-(trifluoromethyl)phenyl]pyrazin-2-amine.
What is the SMILES notation for N-methyl-N-[3-(trifluoromethyl)phenyl]pyrazin-2-amine?
The canonical SMILES for N-methyl-N-[3-(trifluoromethyl)phenyl]pyrazin-2-amine is CN(c1cccc(C(F)(F)F)c1)c1cnccn1.
What is the InChIKey of N-methyl-N-[3-(trifluoromethyl)phenyl]pyrazin-2-amine?
The InChIKey is KWUHAUGMUXHLAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10F3N3/c1-18(11-8-16-5-6-17-11)10-4-2-3-9(7-10)12(13,14)15/h2-8H,1H3.
What are the key properties of N-methyl-N-[3-(trifluoromethyl)phenyl]pyrazin-2-amine?
N-methyl-N-[3-(trifluoromethyl)phenyl]pyrazin-2-amine has a molecular weight of 253.23 g/mol, XLogP of 3.26, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[3-(trifluoromethyl)phenyl]pyrazin-2-amine is sourced from PubChem (CID 71330634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).