N-methyl-N-[(5-methylpyrazin-2-yl)methyl]-1-[3-(trifluoromethoxy)phenyl]methanamine

C15H16F3N3O — CID 71970309

IUPACN-methyl-N-[(5-methylpyrazin-2-yl)methyl]-1-[3-(trifluoromethoxy)phenyl]methanamine
SMILESCc1cnc(CN(C)Cc2cccc(OC(F)(F)F)c2)cn1
InChIInChI=1S/C15H16F3N3O/c1-11-7-20-13(8-19-11)10-21(2)9-12-4-3-5-14(6-12)22-15(16,17)18/h3-8H,9-10H2,1-2H3
InChIKeyDDDPBXKPKKXRSP-UHFFFAOYSA-N
MW311.31 g/mol
LogP3.32
Rot. Bonds5

About N-methyl-N-[(5-methylpyrazin-2-yl)methyl]-1-[3-(trifluoromethoxy)phenyl]methanamine

N-methyl-N-[(5-methylpyrazin-2-yl)methyl]-1-[3-(trifluoromethoxy)phenyl]methanamine (PubChem CID 71970309) has the molecular formula C15H16F3N3O and a molecular weight of 311.31 g/mol. Its IUPAC name is N-methyl-N-[(5-methylpyrazin-2-yl)methyl]-1-[3-(trifluoromethoxy)phenyl]methanamine.

Molecular Properties

Compound NameN-methyl-N-[(5-methylpyrazin-2-yl)methyl]-1-[3-(trifluoromethoxy)phenyl]methanamine
PubChem CID71970309
Molecular FormulaC15H16F3N3O
Molecular Weight311.31 g/mol
Exact Mass311.12
IUPAC NameN-methyl-N-[(5-methylpyrazin-2-yl)methyl]-1-[3-(trifluoromethoxy)phenyl]methanamine
SMILESCc1cnc(CN(C)Cc2cccc(OC(F)(F)F)c2)cn1
InChIInChI=1S/C15H16F3N3O/c1-11-7-20-13(8-19-11)10-21(2)9-12-4-3-5-14(6-12)22-15(16,17)18/h3-8H,9-10H2,1-2H3
InChIKeyDDDPBXKPKKXRSP-UHFFFAOYSA-N
XLogP3.32
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.31
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(5-methylpyrazin-2-yl)methyl]-1-[3-(trifluoromethoxy)phenyl]methanamine?
The IUPAC name of N-methyl-N-[(5-methylpyrazin-2-yl)methyl]-1-[3-(trifluoromethoxy)phenyl]methanamine (CID 71970309) is N-methyl-N-[(5-methylpyrazin-2-yl)methyl]-1-[3-(trifluoromethoxy)phenyl]methanamine.
What is the SMILES notation for N-methyl-N-[(5-methylpyrazin-2-yl)methyl]-1-[3-(trifluoromethoxy)phenyl]methanamine?
The canonical SMILES for N-methyl-N-[(5-methylpyrazin-2-yl)methyl]-1-[3-(trifluoromethoxy)phenyl]methanamine is Cc1cnc(CN(C)Cc2cccc(OC(F)(F)F)c2)cn1.
What is the InChIKey of N-methyl-N-[(5-methylpyrazin-2-yl)methyl]-1-[3-(trifluoromethoxy)phenyl]methanamine?
The InChIKey is DDDPBXKPKKXRSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16F3N3O/c1-11-7-20-13(8-19-11)10-21(2)9-12-4-3-5-14(6-12)22-15(16,17)18/h3-8H,9-10H2,1-2H3.
What are the key properties of N-methyl-N-[(5-methylpyrazin-2-yl)methyl]-1-[3-(trifluoromethoxy)phenyl]methanamine?
N-methyl-N-[(5-methylpyrazin-2-yl)methyl]-1-[3-(trifluoromethoxy)phenyl]methanamine has a molecular weight of 311.31 g/mol, XLogP of 3.32, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(5-methylpyrazin-2-yl)methyl]-1-[3-(trifluoromethoxy)phenyl]methanamine is sourced from PubChem (CID 71970309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).