N-[[6-(1,1,1-trifluoropropan-2-yloxy)pyrazin-2-yl]methyl]propan-2-amine

C11H16F3N3O — CID 66468184

IUPACN-[[6-(1,1,1-trifluoropropan-2-yloxy)pyrazin-2-yl]methyl]propan-2-amine
SMILESCC(C)NCc1cncc(OC(C)C(F)(F)F)n1
InChIInChI=1S/C11H16F3N3O/c1-7(2)16-5-9-4-15-6-10(17-9)18-8(3)11(12,13)14/h4,6-8,16H,5H2,1-3H3
InChIKeyVWXVXURVRKNEJA-UHFFFAOYSA-N
MW263.26 g/mol
LogP2.30
Rot. Bonds5

About N-[[6-(1,1,1-trifluoropropan-2-yloxy)pyrazin-2-yl]methyl]propan-2-amine

N-[[6-(1,1,1-trifluoropropan-2-yloxy)pyrazin-2-yl]methyl]propan-2-amine (PubChem CID 66468184) has the molecular formula C11H16F3N3O and a molecular weight of 263.26 g/mol. Its IUPAC name is N-[[6-(1,1,1-trifluoropropan-2-yloxy)pyrazin-2-yl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[6-(1,1,1-trifluoropropan-2-yloxy)pyrazin-2-yl]methyl]propan-2-amine
PubChem CID66468184
Molecular FormulaC11H16F3N3O
Molecular Weight263.26 g/mol
Exact Mass263.12
IUPAC NameN-[[6-(1,1,1-trifluoropropan-2-yloxy)pyrazin-2-yl]methyl]propan-2-amine
SMILESCC(C)NCc1cncc(OC(C)C(F)(F)F)n1
InChIInChI=1S/C11H16F3N3O/c1-7(2)16-5-9-4-15-6-10(17-9)18-8(3)11(12,13)14/h4,6-8,16H,5H2,1-3H3
InChIKeyVWXVXURVRKNEJA-UHFFFAOYSA-N
XLogP2.30
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.26
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[6-(1,1,1-trifluoropropan-2-yloxy)pyrazin-2-yl]methyl]propan-2-amine?
The IUPAC name of N-[[6-(1,1,1-trifluoropropan-2-yloxy)pyrazin-2-yl]methyl]propan-2-amine (CID 66468184) is N-[[6-(1,1,1-trifluoropropan-2-yloxy)pyrazin-2-yl]methyl]propan-2-amine.
What is the SMILES notation for N-[[6-(1,1,1-trifluoropropan-2-yloxy)pyrazin-2-yl]methyl]propan-2-amine?
The canonical SMILES for N-[[6-(1,1,1-trifluoropropan-2-yloxy)pyrazin-2-yl]methyl]propan-2-amine is CC(C)NCc1cncc(OC(C)C(F)(F)F)n1.
What is the InChIKey of N-[[6-(1,1,1-trifluoropropan-2-yloxy)pyrazin-2-yl]methyl]propan-2-amine?
The InChIKey is VWXVXURVRKNEJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F3N3O/c1-7(2)16-5-9-4-15-6-10(17-9)18-8(3)11(12,13)14/h4,6-8,16H,5H2,1-3H3.
What are the key properties of N-[[6-(1,1,1-trifluoropropan-2-yloxy)pyrazin-2-yl]methyl]propan-2-amine?
N-[[6-(1,1,1-trifluoropropan-2-yloxy)pyrazin-2-yl]methyl]propan-2-amine has a molecular weight of 263.26 g/mol, XLogP of 2.30, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-(1,1,1-trifluoropropan-2-yloxy)pyrazin-2-yl]methyl]propan-2-amine is sourced from PubChem (CID 66468184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).