3-benzyl-5-[4-(trifluoromethyl)phenyl]pyrazin-2-amine

C18H14F3N3 — CID 10568339

IUPAC3-benzyl-5-[4-(trifluoromethyl)phenyl]pyrazin-2-amine
SMILESNc1ncc(-c2ccc(C(F)(F)F)cc2)nc1Cc1ccccc1
InChIInChI=1S/C18H14F3N3/c19-18(20,21)14-8-6-13(7-9-14)16-11-23-17(22)15(24-16)10-12-4-2-1-3-5-12/h1-9,11H,10H2,(H2,22,23)
InChIKeyCXYIPBVAPTWKSK-UHFFFAOYSA-N
MW329.33 g/mol
LogP4.34
Rot. Bonds3

About 3-benzyl-5-[4-(trifluoromethyl)phenyl]pyrazin-2-amine

3-benzyl-5-[4-(trifluoromethyl)phenyl]pyrazin-2-amine (PubChem CID 10568339) has the molecular formula C18H14F3N3 and a molecular weight of 329.33 g/mol. Its IUPAC name is 3-benzyl-5-[4-(trifluoromethyl)phenyl]pyrazin-2-amine.

Molecular Properties

Compound Name3-benzyl-5-[4-(trifluoromethyl)phenyl]pyrazin-2-amine
PubChem CID10568339
Molecular FormulaC18H14F3N3
Molecular Weight329.33 g/mol
Exact Mass329.11
IUPAC Name3-benzyl-5-[4-(trifluoromethyl)phenyl]pyrazin-2-amine
SMILESNc1ncc(-c2ccc(C(F)(F)F)cc2)nc1Cc1ccccc1
InChIInChI=1S/C18H14F3N3/c19-18(20,21)14-8-6-13(7-9-14)16-11-23-17(22)15(24-16)10-12-4-2-1-3-5-12/h1-9,11H,10H2,(H2,22,23)
InChIKeyCXYIPBVAPTWKSK-UHFFFAOYSA-N
XLogP4.34
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.33
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-benzyl-5-(4-methoxyphenyl)pyrazin-2-amine;ethane
CID 153387650
3-benzyl-5-(4-nitrophenyl)pyrazin-2-amine
CID 177417276
3-benzyl-5-(4-propan-2-yloxyphenyl)pyrazin-2-amine
CID 58567148
3-benzyl-5-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]pyrazin-2-amine
CID 11486146
3-benzyl-5-[4-(2-trimethylsilylethoxy)phenyl]pyrazin-2-amine
CID 155887577
4-[4-(5-amino-6-benzylpyrazin-2-yl)phenoxy]butanoic acid
CID 174458677
3-amino-6-[4-(trifluoromethyl)phenyl]pyrazine-2-carboxylic acid
CID 155817766
2,3-diphenyl-5-[4-(trifluoromethyl)phenyl]pyrazine
CID 59806456
3-benzyl-5-(4-methoxyphenyl)-2-methylpyrazine
CID 70899886
2,6-bis[4-(trifluoromethyl)phenyl]pyrazine
CID 44532794
6-[[4-(trifluoromethyl)phenyl]methyl]pyrimidine-2,4,5-triamine
CID 90898420
7,10-diphenyl-3-[4-(trifluoromethyl)phenyl]phenanthro[9,10-b]pyrazine
CID 58224563

Frequently Asked Questions

What is the IUPAC name of 3-benzyl-5-[4-(trifluoromethyl)phenyl]pyrazin-2-amine?
The IUPAC name of 3-benzyl-5-[4-(trifluoromethyl)phenyl]pyrazin-2-amine (CID 10568339) is 3-benzyl-5-[4-(trifluoromethyl)phenyl]pyrazin-2-amine.
What is the SMILES notation for 3-benzyl-5-[4-(trifluoromethyl)phenyl]pyrazin-2-amine?
The canonical SMILES for 3-benzyl-5-[4-(trifluoromethyl)phenyl]pyrazin-2-amine is Nc1ncc(-c2ccc(C(F)(F)F)cc2)nc1Cc1ccccc1.
What is the InChIKey of 3-benzyl-5-[4-(trifluoromethyl)phenyl]pyrazin-2-amine?
The InChIKey is CXYIPBVAPTWKSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14F3N3/c19-18(20,21)14-8-6-13(7-9-14)16-11-23-17(22)15(24-16)10-12-4-2-1-3-5-12/h1-9,11H,10H2,(H2,22,23).
What are the key properties of 3-benzyl-5-[4-(trifluoromethyl)phenyl]pyrazin-2-amine?
3-benzyl-5-[4-(trifluoromethyl)phenyl]pyrazin-2-amine has a molecular weight of 329.33 g/mol, XLogP of 4.34, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-5-[4-(trifluoromethyl)phenyl]pyrazin-2-amine is sourced from PubChem (CID 10568339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).