N-[[5-(4,4,4-trifluorobutoxy)pyrazin-2-yl]methyl]propan-2-amine

C12H18F3N3O — CID 107382383

IUPACN-[[5-(4,4,4-trifluorobutoxy)pyrazin-2-yl]methyl]propan-2-amine
SMILESCC(C)NCc1cnc(OCCCC(F)(F)F)cn1
InChIInChI=1S/C12H18F3N3O/c1-9(2)16-6-10-7-18-11(8-17-10)19-5-3-4-12(13,14)15/h7-9,16H,3-6H2,1-2H3
InChIKeyVKLRTUCUEMPKEX-UHFFFAOYSA-N
MW277.29 g/mol
LogP2.70
Rot. Bonds7

About N-[[5-(4,4,4-trifluorobutoxy)pyrazin-2-yl]methyl]propan-2-amine

N-[[5-(4,4,4-trifluorobutoxy)pyrazin-2-yl]methyl]propan-2-amine (PubChem CID 107382383) has the molecular formula C12H18F3N3O and a molecular weight of 277.29 g/mol. Its IUPAC name is N-[[5-(4,4,4-trifluorobutoxy)pyrazin-2-yl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[5-(4,4,4-trifluorobutoxy)pyrazin-2-yl]methyl]propan-2-amine
PubChem CID107382383
Molecular FormulaC12H18F3N3O
Molecular Weight277.29 g/mol
Exact Mass277.14
IUPAC NameN-[[5-(4,4,4-trifluorobutoxy)pyrazin-2-yl]methyl]propan-2-amine
SMILESCC(C)NCc1cnc(OCCCC(F)(F)F)cn1
InChIInChI=1S/C12H18F3N3O/c1-9(2)16-6-10-7-18-11(8-17-10)19-5-3-4-12(13,14)15/h7-9,16H,3-6H2,1-2H3
InChIKeyVKLRTUCUEMPKEX-UHFFFAOYSA-N
XLogP2.70
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.29
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[[5-(4,4,4-trifluorobutoxy)pyrazin-2-yl]methyl]propan-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[[5-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]pyrazin-2-yl]methyl]propan-2-amine
CID 107381427
N-[[5-(3,5-difluorophenoxy)pyrazin-2-yl]methyl]propan-2-amine
CID 107382104
N-[[5-(3,5-dimethylphenoxy)pyrazin-2-yl]methyl]propan-2-amine
CID 107381797
N-[[5-[(E)-3-phenylprop-2-enoxy]pyrazin-2-yl]methyl]propan-2-amine
CID 107381579
N-[[5-(2,4,5-trichlorophenoxy)pyrazin-2-yl]methyl]propan-2-amine
CID 107381657
N-[[4-(4,4,4-trifluorobutoxymethyl)phenyl]methyl]propan-2-amine
CID 82792663
N-[[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]methyl]propan-2-amine
CID 79781711
N-[[5-(4-chloro-2,6-dimethylphenoxy)pyrazin-2-yl]methyl]propan-2-amine
CID 107381682
N-methyl-1-[5-(2-propan-2-yloxyethoxy)pyrazin-2-yl]methanamine
CID 107381462
N-[[5-[2-(trifluoromethylsulfanyl)ethoxy]-2-pyridinyl]methyl]propan-2-amine
CID 116615138
N-[[3,5-dichloro-2-(4,4,4-trifluorobutoxy)phenyl]methyl]propan-2-amine
CID 115513158
N-[[5-(1-methylpiperidin-4-yl)oxypyrazin-2-yl]methyl]propan-2-amine
CID 107381290

Frequently Asked Questions

What is the IUPAC name of N-[[5-(4,4,4-trifluorobutoxy)pyrazin-2-yl]methyl]propan-2-amine?
The IUPAC name of N-[[5-(4,4,4-trifluorobutoxy)pyrazin-2-yl]methyl]propan-2-amine (CID 107382383) is N-[[5-(4,4,4-trifluorobutoxy)pyrazin-2-yl]methyl]propan-2-amine.
What is the SMILES notation for N-[[5-(4,4,4-trifluorobutoxy)pyrazin-2-yl]methyl]propan-2-amine?
The canonical SMILES for N-[[5-(4,4,4-trifluorobutoxy)pyrazin-2-yl]methyl]propan-2-amine is CC(C)NCc1cnc(OCCCC(F)(F)F)cn1.
What is the InChIKey of N-[[5-(4,4,4-trifluorobutoxy)pyrazin-2-yl]methyl]propan-2-amine?
The InChIKey is VKLRTUCUEMPKEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18F3N3O/c1-9(2)16-6-10-7-18-11(8-17-10)19-5-3-4-12(13,14)15/h7-9,16H,3-6H2,1-2H3.
What are the key properties of N-[[5-(4,4,4-trifluorobutoxy)pyrazin-2-yl]methyl]propan-2-amine?
N-[[5-(4,4,4-trifluorobutoxy)pyrazin-2-yl]methyl]propan-2-amine has a molecular weight of 277.29 g/mol, XLogP of 2.70, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(4,4,4-trifluorobutoxy)pyrazin-2-yl]methyl]propan-2-amine is sourced from PubChem (CID 107382383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).