N-methyl-1-[6-(3-phenylprop-2-enoxy)pyrazin-2-yl]methanamine

C15H17N3O — CID 77134322

IUPACN-methyl-1-[6-(3-phenylprop-2-enoxy)pyrazin-2-yl]methanamine
SMILESCNCc1cncc(OCC=Cc2ccccc2)n1
InChIInChI=1S/C15H17N3O/c1-16-10-14-11-17-12-15(18-14)19-9-5-8-13-6-3-2-4-7-13/h2-8,11-12,16H,9-10H2,1H3
InChIKeySGUTUAGOJDMDOP-UHFFFAOYSA-N
MW255.32 g/mol
LogP2.29
Rot. Bonds6

About N-methyl-1-[6-(3-phenylprop-2-enoxy)pyrazin-2-yl]methanamine

N-methyl-1-[6-(3-phenylprop-2-enoxy)pyrazin-2-yl]methanamine (PubChem CID 77134322) has the molecular formula C15H17N3O and a molecular weight of 255.32 g/mol. Its IUPAC name is N-methyl-1-[6-(3-phenylprop-2-enoxy)pyrazin-2-yl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[6-(3-phenylprop-2-enoxy)pyrazin-2-yl]methanamine
PubChem CID77134322
Molecular FormulaC15H17N3O
Molecular Weight255.32 g/mol
Exact Mass255.14
IUPAC NameN-methyl-1-[6-(3-phenylprop-2-enoxy)pyrazin-2-yl]methanamine
SMILESCNCc1cncc(OCC=Cc2ccccc2)n1
InChIInChI=1S/C15H17N3O/c1-16-10-14-11-17-12-15(18-14)19-9-5-8-13-6-3-2-4-7-13/h2-8,11-12,16H,9-10H2,1H3
InChIKeySGUTUAGOJDMDOP-UHFFFAOYSA-N
XLogP2.29
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[6-(3-phenylprop-2-enoxy)pyrazin-2-yl]methanamine?
The IUPAC name of N-methyl-1-[6-(3-phenylprop-2-enoxy)pyrazin-2-yl]methanamine (CID 77134322) is N-methyl-1-[6-(3-phenylprop-2-enoxy)pyrazin-2-yl]methanamine.
What is the SMILES notation for N-methyl-1-[6-(3-phenylprop-2-enoxy)pyrazin-2-yl]methanamine?
The canonical SMILES for N-methyl-1-[6-(3-phenylprop-2-enoxy)pyrazin-2-yl]methanamine is CNCc1cncc(OCC=Cc2ccccc2)n1.
What is the InChIKey of N-methyl-1-[6-(3-phenylprop-2-enoxy)pyrazin-2-yl]methanamine?
The InChIKey is SGUTUAGOJDMDOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O/c1-16-10-14-11-17-12-15(18-14)19-9-5-8-13-6-3-2-4-7-13/h2-8,11-12,16H,9-10H2,1H3.
What are the key properties of N-methyl-1-[6-(3-phenylprop-2-enoxy)pyrazin-2-yl]methanamine?
N-methyl-1-[6-(3-phenylprop-2-enoxy)pyrazin-2-yl]methanamine has a molecular weight of 255.32 g/mol, XLogP of 2.29, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[6-(3-phenylprop-2-enoxy)pyrazin-2-yl]methanamine is sourced from PubChem (CID 77134322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).