4,4,4-trifluoro-N-methyl-1-pyrazin-2-ylbutan-1-amine

C9H12F3N3 — CID 64567626

IUPAC4,4,4-trifluoro-N-methyl-1-pyrazin-2-ylbutan-1-amine
SMILESCNC(CCC(F)(F)F)c1cnccn1
InChIInChI=1S/C9H12F3N3/c1-13-7(2-3-9(10,11)12)8-6-14-4-5-15-8/h4-7,13H,2-3H2,1H3
InChIKeyVLMXIBJFGVNYCB-UHFFFAOYSA-N
MW219.21 g/mol
LogP2.08
Rot. Bonds4

About 4,4,4-trifluoro-N-methyl-1-pyrazin-2-ylbutan-1-amine

4,4,4-trifluoro-N-methyl-1-pyrazin-2-ylbutan-1-amine (PubChem CID 64567626) has the molecular formula C9H12F3N3 and a molecular weight of 219.21 g/mol. Its IUPAC name is 4,4,4-trifluoro-N-methyl-1-pyrazin-2-ylbutan-1-amine.

Molecular Properties

Compound Name4,4,4-trifluoro-N-methyl-1-pyrazin-2-ylbutan-1-amine
PubChem CID64567626
Molecular FormulaC9H12F3N3
Molecular Weight219.21 g/mol
Exact Mass219.10
IUPAC Name4,4,4-trifluoro-N-methyl-1-pyrazin-2-ylbutan-1-amine
SMILESCNC(CCC(F)(F)F)c1cnccn1
InChIInChI=1S/C9H12F3N3/c1-13-7(2-3-9(10,11)12)8-6-14-4-5-15-8/h4-7,13H,2-3H2,1H3
InChIKeyVLMXIBJFGVNYCB-UHFFFAOYSA-N
XLogP2.08
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.21
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4,4,4-trifluoro-N-methyl-1-pyrazin-2-ylbutan-1-amine?
The IUPAC name of 4,4,4-trifluoro-N-methyl-1-pyrazin-2-ylbutan-1-amine (CID 64567626) is 4,4,4-trifluoro-N-methyl-1-pyrazin-2-ylbutan-1-amine.
What is the SMILES notation for 4,4,4-trifluoro-N-methyl-1-pyrazin-2-ylbutan-1-amine?
The canonical SMILES for 4,4,4-trifluoro-N-methyl-1-pyrazin-2-ylbutan-1-amine is CNC(CCC(F)(F)F)c1cnccn1.
What is the InChIKey of 4,4,4-trifluoro-N-methyl-1-pyrazin-2-ylbutan-1-amine?
The InChIKey is VLMXIBJFGVNYCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12F3N3/c1-13-7(2-3-9(10,11)12)8-6-14-4-5-15-8/h4-7,13H,2-3H2,1H3.
What are the key properties of 4,4,4-trifluoro-N-methyl-1-pyrazin-2-ylbutan-1-amine?
4,4,4-trifluoro-N-methyl-1-pyrazin-2-ylbutan-1-amine has a molecular weight of 219.21 g/mol, XLogP of 2.08, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,4-trifluoro-N-methyl-1-pyrazin-2-ylbutan-1-amine is sourced from PubChem (CID 64567626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).