N-[(1S)-1-phenylethyl]-6-[3-(trifluoromethoxy)phenyl]pyrazin-2-amine

C19H16F3N3O — CID 45488490

IUPACN-[(1S)-1-phenylethyl]-6-[3-(trifluoromethoxy)phenyl]pyrazin-2-amine
SMILESC[C@H](Nc1cncc(-c2cccc(OC(F)(F)F)c2)n1)c1ccccc1
InChIInChI=1S/C19H16F3N3O/c1-13(14-6-3-2-4-7-14)24-18-12-23-11-17(25-18)15-8-5-9-16(10-15)26-19(20,21)22/h2-13H,1H3,(H,24,25)/t13-/m0/s1
InChIKeyMEOZWOBOBGOMAK-ZDUSSCGKSA-N
MW359.35 g/mol
LogP5.22
Rot. Bonds5

About N-[(1S)-1-phenylethyl]-6-[3-(trifluoromethoxy)phenyl]pyrazin-2-amine

N-[(1S)-1-phenylethyl]-6-[3-(trifluoromethoxy)phenyl]pyrazin-2-amine (PubChem CID 45488490) has the molecular formula C19H16F3N3O and a molecular weight of 359.35 g/mol. Its IUPAC name is N-[(1S)-1-phenylethyl]-6-[3-(trifluoromethoxy)phenyl]pyrazin-2-amine.

Molecular Properties

Compound NameN-[(1S)-1-phenylethyl]-6-[3-(trifluoromethoxy)phenyl]pyrazin-2-amine
PubChem CID45488490
Molecular FormulaC19H16F3N3O
Molecular Weight359.35 g/mol
Exact Mass359.12
IUPAC NameN-[(1S)-1-phenylethyl]-6-[3-(trifluoromethoxy)phenyl]pyrazin-2-amine
SMILESC[C@H](Nc1cncc(-c2cccc(OC(F)(F)F)c2)n1)c1ccccc1
InChIInChI=1S/C19H16F3N3O/c1-13(14-6-3-2-4-7-14)24-18-12-23-11-17(25-18)15-8-5-9-16(10-15)26-19(20,21)22/h2-13H,1H3,(H,24,25)/t13-/m0/s1
InChIKeyMEOZWOBOBGOMAK-ZDUSSCGKSA-N
XLogP5.22
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500359.35
LogP ≤ 55.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-phenylethyl]-6-[3-(trifluoromethoxy)phenyl]pyrazin-2-amine?
The IUPAC name of N-[(1S)-1-phenylethyl]-6-[3-(trifluoromethoxy)phenyl]pyrazin-2-amine (CID 45488490) is N-[(1S)-1-phenylethyl]-6-[3-(trifluoromethoxy)phenyl]pyrazin-2-amine.
What is the SMILES notation for N-[(1S)-1-phenylethyl]-6-[3-(trifluoromethoxy)phenyl]pyrazin-2-amine?
The canonical SMILES for N-[(1S)-1-phenylethyl]-6-[3-(trifluoromethoxy)phenyl]pyrazin-2-amine is C[C@H](Nc1cncc(-c2cccc(OC(F)(F)F)c2)n1)c1ccccc1.
What is the InChIKey of N-[(1S)-1-phenylethyl]-6-[3-(trifluoromethoxy)phenyl]pyrazin-2-amine?
The InChIKey is MEOZWOBOBGOMAK-ZDUSSCGKSA-N. The full InChI is InChI=1S/C19H16F3N3O/c1-13(14-6-3-2-4-7-14)24-18-12-23-11-17(25-18)15-8-5-9-16(10-15)26-19(20,21)22/h2-13H,1H3,(H,24,25)/t13-/m0/s1.
What are the key properties of N-[(1S)-1-phenylethyl]-6-[3-(trifluoromethoxy)phenyl]pyrazin-2-amine?
N-[(1S)-1-phenylethyl]-6-[3-(trifluoromethoxy)phenyl]pyrazin-2-amine has a molecular weight of 359.35 g/mol, XLogP of 5.22, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-phenylethyl]-6-[3-(trifluoromethoxy)phenyl]pyrazin-2-amine is sourced from PubChem (CID 45488490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).