N-(2,6-diethylphenyl)-1-pyrazin-2-ylmethanimine;nickel

C15H17N3Ni — CID 87860521

IUPACN-(2,6-diethylphenyl)-1-pyrazin-2-ylmethanimine;nickel
SMILESCCc1cccc(CC)c1/N=C/c1cnccn1.[Ni]
InChIInChI=1S/C15H17N3.Ni/c1-3-12-6-5-7-13(4-2)15(12)18-11-14-10-16-8-9-17-14;/h5-11H,3-4H2,1-2H3;/b18-11+;
InChIKeyKBDKZMHWWBTPFZ-NWBUNABESA-N
MW298.02 g/mol
LogP3.35
Rot. Bonds4

About N-(2,6-diethylphenyl)-1-pyrazin-2-ylmethanimine;nickel

N-(2,6-diethylphenyl)-1-pyrazin-2-ylmethanimine;nickel (PubChem CID 87860521) has the molecular formula C15H17N3Ni and a molecular weight of 298.02 g/mol. Its IUPAC name is N-(2,6-diethylphenyl)-1-pyrazin-2-ylmethanimine;nickel.

Molecular Properties

Compound NameN-(2,6-diethylphenyl)-1-pyrazin-2-ylmethanimine;nickel
PubChem CID87860521
Molecular FormulaC15H17N3Ni
Molecular Weight298.02 g/mol
Exact Mass297.08
IUPAC NameN-(2,6-diethylphenyl)-1-pyrazin-2-ylmethanimine;nickel
SMILESCCc1cccc(CC)c1/N=C/c1cnccn1.[Ni]
InChIInChI=1S/C15H17N3.Ni/c1-3-12-6-5-7-13(4-2)15(12)18-11-14-10-16-8-9-17-14;/h5-11H,3-4H2,1-2H3;/b18-11+;
InChIKeyKBDKZMHWWBTPFZ-NWBUNABESA-N
XLogP3.35
TPSA38.14 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.02
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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-(2,6-diethylphenyl)-1-pyrazin-2-ylmethanimine;nickel?
The IUPAC name of N-(2,6-diethylphenyl)-1-pyrazin-2-ylmethanimine;nickel (CID 87860521) is N-(2,6-diethylphenyl)-1-pyrazin-2-ylmethanimine;nickel.
What is the SMILES notation for N-(2,6-diethylphenyl)-1-pyrazin-2-ylmethanimine;nickel?
The canonical SMILES for N-(2,6-diethylphenyl)-1-pyrazin-2-ylmethanimine;nickel is CCc1cccc(CC)c1/N=C/c1cnccn1.[Ni].
What is the InChIKey of N-(2,6-diethylphenyl)-1-pyrazin-2-ylmethanimine;nickel?
The InChIKey is KBDKZMHWWBTPFZ-NWBUNABESA-N. The full InChI is InChI=1S/C15H17N3.Ni/c1-3-12-6-5-7-13(4-2)15(12)18-11-14-10-16-8-9-17-14;/h5-11H,3-4H2,1-2H3;/b18-11+;.
What are the key properties of N-(2,6-diethylphenyl)-1-pyrazin-2-ylmethanimine;nickel?
N-(2,6-diethylphenyl)-1-pyrazin-2-ylmethanimine;nickel has a molecular weight of 298.02 g/mol, XLogP of 3.35, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-diethylphenyl)-1-pyrazin-2-ylmethanimine;nickel is sourced from PubChem (CID 87860521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).