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

C11H16F3N3O — CID 66467967

IUPACN-[[6-(1,1,1-trifluoropropan-2-yloxy)pyrazin-2-yl]methyl]propan-1-amine
SMILESCCCNCc1cncc(OC(C)C(F)(F)F)n1
InChIInChI=1S/C11H16F3N3O/c1-3-4-15-5-9-6-16-7-10(17-9)18-8(2)11(12,13)14/h6-8,15H,3-5H2,1-2H3
InChIKeyLRRYVZJIXIUUNY-UHFFFAOYSA-N
MW263.26 g/mol
LogP2.31
Rot. Bonds6

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

N-[[6-(1,1,1-trifluoropropan-2-yloxy)pyrazin-2-yl]methyl]propan-1-amine (PubChem CID 66467967) 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-1-amine.

Molecular Properties

Compound NameN-[[6-(1,1,1-trifluoropropan-2-yloxy)pyrazin-2-yl]methyl]propan-1-amine
PubChem CID66467967
Molecular FormulaC11H16F3N3O
Molecular Weight263.26 g/mol
Exact Mass263.12
IUPAC NameN-[[6-(1,1,1-trifluoropropan-2-yloxy)pyrazin-2-yl]methyl]propan-1-amine
SMILESCCCNCc1cncc(OC(C)C(F)(F)F)n1
InChIInChI=1S/C11H16F3N3O/c1-3-4-15-5-9-6-16-7-10(17-9)18-8(2)11(12,13)14/h6-8,15H,3-5H2,1-2H3
InChIKeyLRRYVZJIXIUUNY-UHFFFAOYSA-N
XLogP2.31
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.26
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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

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Related Compounds

(5-Ethoxypyrazin-2-yl)methanamine
CID 64287601
[5-(Propan-2-yloxy)pyrazin-2-yl]methanamine
CID 64287828
(1R)-1-[5-(2,2,2-trifluoroethoxy)pyrazin-2-yl]ethanamine
CID 59455302
2-Methyl-5-(2,2,2-trifluoroethoxy)pyrazine
CID 68236301
(1R)-1-[5-(2,2,2-trifluoroethoxy)pyrazin-2-yl]ethanamine;hydrochloride
CID 68488662
2-(4-Fluorobut-2-ynoxy)-5-methylpyrazine
CID 70235062
1-[5-(2,2,2-Trifluoroethoxy)pyrazin-2-yl]ethanamine
CID 72290042
2-(2-Fluoroethoxy)-5-methylpyrazine
CID 88224400
(6-Methyl-5-(2,2,2-trifluoroethoxy)pyrazin-2-yl)methanamine hydrochloride
CID 89875171
[6-Methyl-5-(2,2,2-trifluoroethoxy)pyrazin-2-yl]methanamine
CID 89875172
1-(6-Methyl-5-(2,2,2-trifluoroethoxy)pyrazin-2-yl)ethanamine hydrochloride
CID 89875210
2-Methyl-5-(1,1,1-trifluoropropan-2-yloxy)pyrazine
CID 126556965

Frequently Asked Questions

What is the IUPAC name of N-[[6-(1,1,1-trifluoropropan-2-yloxy)pyrazin-2-yl]methyl]propan-1-amine?
The IUPAC name of N-[[6-(1,1,1-trifluoropropan-2-yloxy)pyrazin-2-yl]methyl]propan-1-amine (CID 66467967) is N-[[6-(1,1,1-trifluoropropan-2-yloxy)pyrazin-2-yl]methyl]propan-1-amine.
What is the SMILES notation for N-[[6-(1,1,1-trifluoropropan-2-yloxy)pyrazin-2-yl]methyl]propan-1-amine?
The canonical SMILES for N-[[6-(1,1,1-trifluoropropan-2-yloxy)pyrazin-2-yl]methyl]propan-1-amine is CCCNCc1cncc(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-1-amine?
The InChIKey is LRRYVZJIXIUUNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F3N3O/c1-3-4-15-5-9-6-16-7-10(17-9)18-8(2)11(12,13)14/h6-8,15H,3-5H2,1-2H3.
What are the key properties of N-[[6-(1,1,1-trifluoropropan-2-yloxy)pyrazin-2-yl]methyl]propan-1-amine?
N-[[6-(1,1,1-trifluoropropan-2-yloxy)pyrazin-2-yl]methyl]propan-1-amine has a molecular weight of 263.26 g/mol, XLogP of 2.31, 6 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-1-amine is sourced from PubChem (CID 66467967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).