N-[(5-methylpyrazin-2-yl)methyl]-3-(2,2,2-trifluoroethoxy)propan-1-amine

C11H16F3N3O — CID 62846087

IUPACN-[(5-methylpyrazin-2-yl)methyl]-3-(2,2,2-trifluoroethoxy)propan-1-amine
SMILESCc1cnc(CNCCCOCC(F)(F)F)cn1
InChIInChI=1S/C11H16F3N3O/c1-9-5-17-10(7-16-9)6-15-3-2-4-18-8-11(12,13)14/h5,7,15H,2-4,6,8H2,1H3
InChIKeyREQJPAIMQIYXBC-UHFFFAOYSA-N
MW263.26 g/mol
LogP1.84
Rot. Bonds7

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

N-[(5-methylpyrazin-2-yl)methyl]-3-(2,2,2-trifluoroethoxy)propan-1-amine (PubChem CID 62846087) has the molecular formula C11H16F3N3O and a molecular weight of 263.26 g/mol. Its IUPAC name is N-[(5-methylpyrazin-2-yl)methyl]-3-(2,2,2-trifluoroethoxy)propan-1-amine.

Molecular Properties

Compound NameN-[(5-methylpyrazin-2-yl)methyl]-3-(2,2,2-trifluoroethoxy)propan-1-amine
PubChem CID62846087
Molecular FormulaC11H16F3N3O
Molecular Weight263.26 g/mol
Exact Mass263.12
IUPAC NameN-[(5-methylpyrazin-2-yl)methyl]-3-(2,2,2-trifluoroethoxy)propan-1-amine
SMILESCc1cnc(CNCCCOCC(F)(F)F)cn1
InChIInChI=1S/C11H16F3N3O/c1-9-5-17-10(7-16-9)6-15-3-2-4-18-8-11(12,13)14/h5,7,15H,2-4,6,8H2,1H3
InChIKeyREQJPAIMQIYXBC-UHFFFAOYSA-N
XLogP1.84
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.26
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(5-methylpyrazin-2-yl)methyl]-3-(2,2,2-trifluoroethoxy)propan-1-amine?
The IUPAC name of N-[(5-methylpyrazin-2-yl)methyl]-3-(2,2,2-trifluoroethoxy)propan-1-amine (CID 62846087) is N-[(5-methylpyrazin-2-yl)methyl]-3-(2,2,2-trifluoroethoxy)propan-1-amine.
What is the SMILES notation for N-[(5-methylpyrazin-2-yl)methyl]-3-(2,2,2-trifluoroethoxy)propan-1-amine?
The canonical SMILES for N-[(5-methylpyrazin-2-yl)methyl]-3-(2,2,2-trifluoroethoxy)propan-1-amine is Cc1cnc(CNCCCOCC(F)(F)F)cn1.
What is the InChIKey of N-[(5-methylpyrazin-2-yl)methyl]-3-(2,2,2-trifluoroethoxy)propan-1-amine?
The InChIKey is REQJPAIMQIYXBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F3N3O/c1-9-5-17-10(7-16-9)6-15-3-2-4-18-8-11(12,13)14/h5,7,15H,2-4,6,8H2,1H3.
What are the key properties of N-[(5-methylpyrazin-2-yl)methyl]-3-(2,2,2-trifluoroethoxy)propan-1-amine?
N-[(5-methylpyrazin-2-yl)methyl]-3-(2,2,2-trifluoroethoxy)propan-1-amine has a molecular weight of 263.26 g/mol, XLogP of 1.84, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-methylpyrazin-2-yl)methyl]-3-(2,2,2-trifluoroethoxy)propan-1-amine is sourced from PubChem (CID 62846087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).