3,3,3-trifluoro-N-[1-(3-methylpyrazin-2-yl)ethyl]propan-1-amine

C10H14F3N3 — CID 102612905

IUPAC3,3,3-trifluoro-N-[1-(3-methylpyrazin-2-yl)ethyl]propan-1-amine
SMILESCc1nccnc1C(C)NCCC(F)(F)F
InChIInChI=1S/C10H14F3N3/c1-7(14-4-3-10(11,12)13)9-8(2)15-5-6-16-9/h5-7,14H,3-4H2,1-2H3
InChIKeyBOCHWYAAIVOYQZ-UHFFFAOYSA-N
MW233.24 g/mol
LogP2.39
Rot. Bonds4

About 3,3,3-trifluoro-N-[1-(3-methylpyrazin-2-yl)ethyl]propan-1-amine

3,3,3-trifluoro-N-[1-(3-methylpyrazin-2-yl)ethyl]propan-1-amine (PubChem CID 102612905) has the molecular formula C10H14F3N3 and a molecular weight of 233.24 g/mol. Its IUPAC name is 3,3,3-trifluoro-N-[1-(3-methylpyrazin-2-yl)ethyl]propan-1-amine.

Molecular Properties

Compound Name3,3,3-trifluoro-N-[1-(3-methylpyrazin-2-yl)ethyl]propan-1-amine
PubChem CID102612905
Molecular FormulaC10H14F3N3
Molecular Weight233.24 g/mol
Exact Mass233.11
IUPAC Name3,3,3-trifluoro-N-[1-(3-methylpyrazin-2-yl)ethyl]propan-1-amine
SMILESCc1nccnc1C(C)NCCC(F)(F)F
InChIInChI=1S/C10H14F3N3/c1-7(14-4-3-10(11,12)13)9-8(2)15-5-6-16-9/h5-7,14H,3-4H2,1-2H3
InChIKeyBOCHWYAAIVOYQZ-UHFFFAOYSA-N
XLogP2.39
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.24
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-[1-(3-methylpyrazin-2-yl)ethylamino]pentan-1-ol
CID 107303156
N-[2-(3,5-difluorophenyl)ethyl]-1-(3-methylpyrazin-2-yl)ethanamine
CID 102612607
N-[2-(4-chlorophenyl)ethyl]-1-(3-methylpyrazin-2-yl)ethanamine
CID 102612241
3-methyl-N-(3,3,3-trifluoropropyl)pyrazin-2-amine
CID 83064931
N-(2-ethylsulfinylethyl)-1-(3-methylpyrazin-2-yl)ethanamine
CID 102612714
N-[1-(3,5-dimethylphenyl)ethyl]-3,3,3-trifluoropropan-1-amine
CID 81343670
1-[[1-(3-methylpyrazin-2-yl)ethylamino]methyl]cyclobutan-1-ol
CID 102612705
N-[(4-methylphenyl)methyl]-1-(3-methylpyrazin-2-yl)ethanamine
CID 102612284
N-(cyclobutylmethyl)-1-(3-methylpyrazin-2-yl)ethanamine
CID 102612552
N-[1-(3-methylpyrazin-2-yl)ethyl]-1-(trifluoromethyl)cyclopropan-1-amine
CID 106210712
3,3,3-trifluoro-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]propan-1-amine
CID 103893751
N-[2-(4-methoxyphenyl)ethyl]-1-(3-methylpyrazin-2-yl)ethanamine
CID 102612221

Frequently Asked Questions

What is the IUPAC name of 3,3,3-trifluoro-N-[1-(3-methylpyrazin-2-yl)ethyl]propan-1-amine?
The IUPAC name of 3,3,3-trifluoro-N-[1-(3-methylpyrazin-2-yl)ethyl]propan-1-amine (CID 102612905) is 3,3,3-trifluoro-N-[1-(3-methylpyrazin-2-yl)ethyl]propan-1-amine.
What is the SMILES notation for 3,3,3-trifluoro-N-[1-(3-methylpyrazin-2-yl)ethyl]propan-1-amine?
The canonical SMILES for 3,3,3-trifluoro-N-[1-(3-methylpyrazin-2-yl)ethyl]propan-1-amine is Cc1nccnc1C(C)NCCC(F)(F)F.
What is the InChIKey of 3,3,3-trifluoro-N-[1-(3-methylpyrazin-2-yl)ethyl]propan-1-amine?
The InChIKey is BOCHWYAAIVOYQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F3N3/c1-7(14-4-3-10(11,12)13)9-8(2)15-5-6-16-9/h5-7,14H,3-4H2,1-2H3.
What are the key properties of 3,3,3-trifluoro-N-[1-(3-methylpyrazin-2-yl)ethyl]propan-1-amine?
3,3,3-trifluoro-N-[1-(3-methylpyrazin-2-yl)ethyl]propan-1-amine has a molecular weight of 233.24 g/mol, XLogP of 2.39, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,3-trifluoro-N-[1-(3-methylpyrazin-2-yl)ethyl]propan-1-amine is sourced from PubChem (CID 102612905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).