N-(2-methoxy-2-phenylethyl)-1-pyrazin-2-ylmethanimine

C14H15N3O — CID 90457293

IUPACN-(2-methoxy-2-phenylethyl)-1-pyrazin-2-ylmethanimine
SMILESCOC(C/N=C/c1cnccn1)c1ccccc1
InChIInChI=1S/C14H15N3O/c1-18-14(12-5-3-2-4-6-12)11-16-10-13-9-15-7-8-17-13/h2-10,14H,11H2,1H3/b16-10+
InChIKeyCYKQOJLBHMZEBG-MHWRWJLKSA-N
MW241.29 g/mol
LogP2.28
Rot. Bonds5

About N-(2-methoxy-2-phenylethyl)-1-pyrazin-2-ylmethanimine

N-(2-methoxy-2-phenylethyl)-1-pyrazin-2-ylmethanimine (PubChem CID 90457293) has the molecular formula C14H15N3O and a molecular weight of 241.29 g/mol. Its IUPAC name is N-(2-methoxy-2-phenylethyl)-1-pyrazin-2-ylmethanimine.

Molecular Properties

Compound NameN-(2-methoxy-2-phenylethyl)-1-pyrazin-2-ylmethanimine
PubChem CID90457293
Molecular FormulaC14H15N3O
Molecular Weight241.29 g/mol
Exact Mass241.12
IUPAC NameN-(2-methoxy-2-phenylethyl)-1-pyrazin-2-ylmethanimine
SMILESCOC(C/N=C/c1cnccn1)c1ccccc1
InChIInChI=1S/C14H15N3O/c1-18-14(12-5-3-2-4-6-12)11-16-10-13-9-15-7-8-17-13/h2-10,14H,11H2,1H3/b16-10+
InChIKeyCYKQOJLBHMZEBG-MHWRWJLKSA-N
XLogP2.28
TPSA47.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2-methoxy-2-phenylethyl)-1-pyrazin-2-ylmethanimine?
The IUPAC name of N-(2-methoxy-2-phenylethyl)-1-pyrazin-2-ylmethanimine (CID 90457293) is N-(2-methoxy-2-phenylethyl)-1-pyrazin-2-ylmethanimine.
What is the SMILES notation for N-(2-methoxy-2-phenylethyl)-1-pyrazin-2-ylmethanimine?
The canonical SMILES for N-(2-methoxy-2-phenylethyl)-1-pyrazin-2-ylmethanimine is COC(C/N=C/c1cnccn1)c1ccccc1.
What is the InChIKey of N-(2-methoxy-2-phenylethyl)-1-pyrazin-2-ylmethanimine?
The InChIKey is CYKQOJLBHMZEBG-MHWRWJLKSA-N. The full InChI is InChI=1S/C14H15N3O/c1-18-14(12-5-3-2-4-6-12)11-16-10-13-9-15-7-8-17-13/h2-10,14H,11H2,1H3/b16-10+.
What are the key properties of N-(2-methoxy-2-phenylethyl)-1-pyrazin-2-ylmethanimine?
N-(2-methoxy-2-phenylethyl)-1-pyrazin-2-ylmethanimine has a molecular weight of 241.29 g/mol, XLogP of 2.28, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxy-2-phenylethyl)-1-pyrazin-2-ylmethanimine is sourced from PubChem (CID 90457293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).