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

C10H14F3N3O — CID 105032098

IUPACN-[2,2,2-trifluoro-1-(3-methoxypyrazin-2-yl)ethyl]propan-1-amine
SMILESCCCNC(c1nccnc1OC)C(F)(F)F
InChIInChI=1S/C10H14F3N3O/c1-3-4-15-8(10(11,12)13)7-9(17-2)16-6-5-14-7/h5-6,8,15H,3-4H2,1-2H3
InChIKeyDYQPGJWEUUFIBT-UHFFFAOYSA-N
MW249.24 g/mol
LogP2.09
Rot. Bonds5

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

N-[2,2,2-trifluoro-1-(3-methoxypyrazin-2-yl)ethyl]propan-1-amine (PubChem CID 105032098) has the molecular formula C10H14F3N3O and a molecular weight of 249.24 g/mol. Its IUPAC name is N-[2,2,2-trifluoro-1-(3-methoxypyrazin-2-yl)ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[2,2,2-trifluoro-1-(3-methoxypyrazin-2-yl)ethyl]propan-1-amine
PubChem CID105032098
Molecular FormulaC10H14F3N3O
Molecular Weight249.24 g/mol
Exact Mass249.11
IUPAC NameN-[2,2,2-trifluoro-1-(3-methoxypyrazin-2-yl)ethyl]propan-1-amine
SMILESCCCNC(c1nccnc1OC)C(F)(F)F
InChIInChI=1S/C10H14F3N3O/c1-3-4-15-8(10(11,12)13)7-9(17-2)16-6-5-14-7/h5-6,8,15H,3-4H2,1-2H3
InChIKeyDYQPGJWEUUFIBT-UHFFFAOYSA-N
XLogP2.09
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.24
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-ethoxy-1-(3-methoxypyrazin-2-yl)-2-methyl-N-propylpropan-1-amine
CID 116727206
2-ethyl-1-(3-methoxypyrazin-2-yl)-2-N,2-N-dimethyl-1-N-propylbutane-1,2-diamine
CID 104515831
2,2,2-trifluoro-1-(3-methoxypyrazin-2-yl)-N-methylethanamine
CID 105032213
1-(3-methoxypyrazin-2-yl)-N-propylpentan-1-amine
CID 113421622
2-ethoxy-1-(3-methoxypyrazin-2-yl)-3-methyl-N-propylbutan-1-amine
CID 116721761
N-[2-tert-butylsulfanyl-1-(3-methoxypyrazin-2-yl)ethyl]propan-1-amine
CID 104515657
4-methoxy-1-(3-methoxypyrazin-2-yl)-3-methyl-N-propylbutan-1-amine
CID 105178681
N-[(3-methoxypyrazin-2-yl)-pyrimidin-5-ylmethyl]propan-1-amine
CID 102923780
N-[(4,5-dimethylthiophen-2-yl)-(3-methoxypyrazin-2-yl)methyl]propan-1-amine
CID 105031771
N-[cyclohexyl-(3-methoxypyrazin-2-yl)methyl]propan-1-amine
CID 104515379
N-ethyl-1-(3-methoxypyrazin-2-yl)-2-methyl-2-phenylpropan-1-amine
CID 104515547
N-[(4,4-difluorocyclohexyl)-(3-methoxypyrazin-2-yl)methyl]propan-1-amine
CID 105178707

Frequently Asked Questions

What is the IUPAC name of N-[2,2,2-trifluoro-1-(3-methoxypyrazin-2-yl)ethyl]propan-1-amine?
The IUPAC name of N-[2,2,2-trifluoro-1-(3-methoxypyrazin-2-yl)ethyl]propan-1-amine (CID 105032098) is N-[2,2,2-trifluoro-1-(3-methoxypyrazin-2-yl)ethyl]propan-1-amine.
What is the SMILES notation for N-[2,2,2-trifluoro-1-(3-methoxypyrazin-2-yl)ethyl]propan-1-amine?
The canonical SMILES for N-[2,2,2-trifluoro-1-(3-methoxypyrazin-2-yl)ethyl]propan-1-amine is CCCNC(c1nccnc1OC)C(F)(F)F.
What is the InChIKey of N-[2,2,2-trifluoro-1-(3-methoxypyrazin-2-yl)ethyl]propan-1-amine?
The InChIKey is DYQPGJWEUUFIBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F3N3O/c1-3-4-15-8(10(11,12)13)7-9(17-2)16-6-5-14-7/h5-6,8,15H,3-4H2,1-2H3.
What are the key properties of N-[2,2,2-trifluoro-1-(3-methoxypyrazin-2-yl)ethyl]propan-1-amine?
N-[2,2,2-trifluoro-1-(3-methoxypyrazin-2-yl)ethyl]propan-1-amine has a molecular weight of 249.24 g/mol, XLogP of 2.09, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2,2,2-trifluoro-1-(3-methoxypyrazin-2-yl)ethyl]propan-1-amine is sourced from PubChem (CID 105032098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).