3,3,3-trifluoro-N-[(5-methylpyrazin-2-yl)methyl]-1-phenylpropan-1-amine

C15H16F3N3 — CID 62847357

IUPAC3,3,3-trifluoro-N-[(5-methylpyrazin-2-yl)methyl]-1-phenylpropan-1-amine
SMILESCc1cnc(CNC(CC(F)(F)F)c2ccccc2)cn1
InChIInChI=1S/C15H16F3N3/c1-11-8-20-13(9-19-11)10-21-14(7-15(16,17)18)12-5-3-2-4-6-12/h2-6,8-9,14,21H,7,10H2,1H3
InChIKeyZLHTWIVCEPMGGT-UHFFFAOYSA-N
MW295.31 g/mol
LogP3.57
Rot. Bonds5

About 3,3,3-trifluoro-N-[(5-methylpyrazin-2-yl)methyl]-1-phenylpropan-1-amine

3,3,3-trifluoro-N-[(5-methylpyrazin-2-yl)methyl]-1-phenylpropan-1-amine (PubChem CID 62847357) has the molecular formula C15H16F3N3 and a molecular weight of 295.31 g/mol. Its IUPAC name is 3,3,3-trifluoro-N-[(5-methylpyrazin-2-yl)methyl]-1-phenylpropan-1-amine.

Molecular Properties

Compound Name3,3,3-trifluoro-N-[(5-methylpyrazin-2-yl)methyl]-1-phenylpropan-1-amine
PubChem CID62847357
Molecular FormulaC15H16F3N3
Molecular Weight295.31 g/mol
Exact Mass295.13
IUPAC Name3,3,3-trifluoro-N-[(5-methylpyrazin-2-yl)methyl]-1-phenylpropan-1-amine
SMILESCc1cnc(CNC(CC(F)(F)F)c2ccccc2)cn1
InChIInChI=1S/C15H16F3N3/c1-11-8-20-13(9-19-11)10-21-14(7-15(16,17)18)12-5-3-2-4-6-12/h2-6,8-9,14,21H,7,10H2,1H3
InChIKeyZLHTWIVCEPMGGT-UHFFFAOYSA-N
XLogP3.57
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.31
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3,3,3-trifluoro-N-[(5-methylpyrazin-2-yl)methyl]-1-phenylpropan-1-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

3,3,3-trifluoro-1-phenyl-N-(1,3-thiazol-4-ylmethyl)propan-1-amine
CID 55150406
3,3,3-trifluoro-1-phenyl-N-(pyridazin-3-ylmethyl)propan-1-amine
CID 106895245
3,3,3-trifluoro-N-[(4-methyl-3-pyridinyl)methyl]-1-phenylpropan-1-amine
CID 115900299
N-ethyl-3,3,3-trifluoro-1-phenylpropan-1-amine
CID 43489138
N-[(5-methylpyrazin-2-yl)methyl]-3-phenylbutan-1-amine
CID 62848270
3,3,3-trifluoro-N-[(5-methylfuran-2-yl)methyl]-1-phenylpropan-1-amine
CID 60961509
3,3,3-trifluoro-1-phenyl-N-(1H-pyrazol-4-ylmethyl)propan-1-amine
CID 54897637
1-(3-bromophenyl)-N-[(5-methylpyrazin-2-yl)methyl]propan-1-amine
CID 62845889
N-[(1,3-dimethylpyrazol-4-yl)methyl]-3,3,3-trifluoro-1-phenylpropan-1-amine
CID 115767647
1-(3-fluorophenyl)-N-[(5-methylpyrazin-2-yl)methyl]ethanamine
CID 62414083
N-[(4,5-dimethylthiophen-2-yl)methyl]-3,3,3-trifluoro-1-phenylpropan-1-amine
CID 65246588
3,3,3-trifluoro-1-phenyl-N-prop-2-ynylpropan-1-amine
CID 43755356

Frequently Asked Questions

What is the IUPAC name of 3,3,3-trifluoro-N-[(5-methylpyrazin-2-yl)methyl]-1-phenylpropan-1-amine?
The IUPAC name of 3,3,3-trifluoro-N-[(5-methylpyrazin-2-yl)methyl]-1-phenylpropan-1-amine (CID 62847357) is 3,3,3-trifluoro-N-[(5-methylpyrazin-2-yl)methyl]-1-phenylpropan-1-amine.
What is the SMILES notation for 3,3,3-trifluoro-N-[(5-methylpyrazin-2-yl)methyl]-1-phenylpropan-1-amine?
The canonical SMILES for 3,3,3-trifluoro-N-[(5-methylpyrazin-2-yl)methyl]-1-phenylpropan-1-amine is Cc1cnc(CNC(CC(F)(F)F)c2ccccc2)cn1.
What is the InChIKey of 3,3,3-trifluoro-N-[(5-methylpyrazin-2-yl)methyl]-1-phenylpropan-1-amine?
The InChIKey is ZLHTWIVCEPMGGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16F3N3/c1-11-8-20-13(9-19-11)10-21-14(7-15(16,17)18)12-5-3-2-4-6-12/h2-6,8-9,14,21H,7,10H2,1H3.
What are the key properties of 3,3,3-trifluoro-N-[(5-methylpyrazin-2-yl)methyl]-1-phenylpropan-1-amine?
3,3,3-trifluoro-N-[(5-methylpyrazin-2-yl)methyl]-1-phenylpropan-1-amine has a molecular weight of 295.31 g/mol, XLogP of 3.57, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,3-trifluoro-N-[(5-methylpyrazin-2-yl)methyl]-1-phenylpropan-1-amine is sourced from PubChem (CID 62847357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).