6-chloro-N-[1-[3-(trifluoromethoxy)phenyl]ethyl]pyrazin-2-amine

C13H11ClF3N3O — CID 133348279

IUPAC6-chloro-N-[1-[3-(trifluoromethoxy)phenyl]ethyl]pyrazin-2-amine
SMILESCC(Nc1cncc(Cl)n1)c1cccc(OC(F)(F)F)c1
InChIInChI=1S/C13H11ClF3N3O/c1-8(19-12-7-18-6-11(14)20-12)9-3-2-4-10(5-9)21-13(15,16)17/h2-8H,1H3,(H,19,20)
InChIKeyPQSIRGUUJWMPFW-UHFFFAOYSA-N
MW317.70 g/mol
LogP4.20
Rot. Bonds4

About 6-chloro-N-[1-[3-(trifluoromethoxy)phenyl]ethyl]pyrazin-2-amine

6-chloro-N-[1-[3-(trifluoromethoxy)phenyl]ethyl]pyrazin-2-amine (PubChem CID 133348279) has the molecular formula C13H11ClF3N3O and a molecular weight of 317.70 g/mol. Its IUPAC name is 6-chloro-N-[1-[3-(trifluoromethoxy)phenyl]ethyl]pyrazin-2-amine.

Molecular Properties

Compound Name6-chloro-N-[1-[3-(trifluoromethoxy)phenyl]ethyl]pyrazin-2-amine
PubChem CID133348279
Molecular FormulaC13H11ClF3N3O
Molecular Weight317.70 g/mol
Exact Mass317.05
IUPAC Name6-chloro-N-[1-[3-(trifluoromethoxy)phenyl]ethyl]pyrazin-2-amine
SMILESCC(Nc1cncc(Cl)n1)c1cccc(OC(F)(F)F)c1
InChIInChI=1S/C13H11ClF3N3O/c1-8(19-12-7-18-6-11(14)20-12)9-3-2-4-10(5-9)21-13(15,16)17/h2-8H,1H3,(H,19,20)
InChIKeyPQSIRGUUJWMPFW-UHFFFAOYSA-N
XLogP4.20
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.70
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-chloro-N-[(1S)-1-(3-fluorophenyl)ethyl]pyrazin-2-amine
CID 58869935
3-amino-4-[[(1S)-1-[3-(trifluoromethoxy)phenyl]ethyl]amino]cyclobut-3-ene-1,2-dione
CID 167904447
6-chloro-N-[1-(4-ethoxyphenyl)ethyl]pyrazin-2-amine
CID 47370476
N-[3-[(1S)-1-[(6-chloropyrazin-2-yl)amino]ethyl]phenyl]-3-methylbenzamide
CID 25218459
3,4-dichloro-N-[1-(3-methoxyphenyl)ethyl]aniline
CID 43108106
6-chloro-N-[1-(2-chloro-4-fluorophenyl)ethyl]pyrazin-2-amine
CID 133305089
methyl 6-(1-pyridin-3-ylethylamino)pyrazine-2-carboxylate
CID 66457684
(2R)-2-[3-(trifluoromethoxy)phenyl]propanoic acid
CID 175718270
6-bromo-N-[1-(3-methoxyphenyl)ethyl]quinoxalin-2-amine
CID 77191902
methyl 5-[1-[3-(trifluoromethoxy)phenyl]ethylcarbamoyl]thiophene-2-carboxylate
CID 69052819
(5-methyl-3-pyridinyl)-[3-(trifluoromethoxy)phenyl]methanol
CID 105096587
methyl 2-[hydroxy-[3-(trifluoromethoxy)phenyl]methyl]-3-methylbutanoate
CID 107105204

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-[1-[3-(trifluoromethoxy)phenyl]ethyl]pyrazin-2-amine?
The IUPAC name of 6-chloro-N-[1-[3-(trifluoromethoxy)phenyl]ethyl]pyrazin-2-amine (CID 133348279) is 6-chloro-N-[1-[3-(trifluoromethoxy)phenyl]ethyl]pyrazin-2-amine.
What is the SMILES notation for 6-chloro-N-[1-[3-(trifluoromethoxy)phenyl]ethyl]pyrazin-2-amine?
The canonical SMILES for 6-chloro-N-[1-[3-(trifluoromethoxy)phenyl]ethyl]pyrazin-2-amine is CC(Nc1cncc(Cl)n1)c1cccc(OC(F)(F)F)c1.
What is the InChIKey of 6-chloro-N-[1-[3-(trifluoromethoxy)phenyl]ethyl]pyrazin-2-amine?
The InChIKey is PQSIRGUUJWMPFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClF3N3O/c1-8(19-12-7-18-6-11(14)20-12)9-3-2-4-10(5-9)21-13(15,16)17/h2-8H,1H3,(H,19,20).
What are the key properties of 6-chloro-N-[1-[3-(trifluoromethoxy)phenyl]ethyl]pyrazin-2-amine?
6-chloro-N-[1-[3-(trifluoromethoxy)phenyl]ethyl]pyrazin-2-amine has a molecular weight of 317.70 g/mol, XLogP of 4.20, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-[1-[3-(trifluoromethoxy)phenyl]ethyl]pyrazin-2-amine is sourced from PubChem (CID 133348279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).