2,3-Dimethyl-5-ethylpyrazine

CBNumber: CB9375970
Chemical Name: 2,3-Diethyl-5-methylpyrazine
Molecular Formula: C9H14N2
Formula Weight: 150.22
CAS No.: 18138-04-0




[ Properties Computed from Structure]

Molecular Weight 150.22086 [g/mol]
Molecular Formula C9H14N2
XLogP 1.5
H-Bond Donor 0
H-Bond Acceptor 2
Rotatable Bond Count 2
Tautomer Count 3
Exact Mass 150.115698
MonoIsotopic Mass 150.115698
Topological Polar Surface Area 25.8
Heavy Atom Count 11
Formal Charge 0
Complexity 114
Isotope Atom Count 0
Defined Atom StereoCenter Count 0
Undefined Atom StereoCenter Count 0
Defined Bond StereoCenter Count 0
Undefined Bond StereoCenter Count 0
Covalently-Bonded Unit Count 1


[ Descriptors Computed from Structure]
IUPAC Name: 2,3-diethyl-5-methylpyrazine
Canonical SMILES: CCC1=NC=C(N=C1CC)C
InChI: InChI=1/C9H14N2/c1-4-8-9(5-2)11-7(3)6-10-8/h6H,4-5H2,1-3H3