2-(2,4-dichlorophenyl)-3,6-diethyl-5-(2-ethylbutyl)pyrazine

C20H26Cl2N2 — CID 53309402

IUPAC2-(2,4-dichlorophenyl)-3,6-diethyl-5-(2-ethylbutyl)pyrazine
SMILESCCc1nc(-c2ccc(Cl)cc2Cl)c(CC)nc1CC(CC)CC
InChIInChI=1S/C20H26Cl2N2/c1-5-13(6-2)11-19-17(7-3)24-20(18(8-4)23-19)15-10-9-14(21)12-16(15)22/h9-10,12-13H,5-8,11H2,1-4H3
InChIKeyBIWJITFTDIQXLE-UHFFFAOYSA-N
MW365.35 g/mol
LogP6.55
Rot. Bonds7

About 2-(2,4-dichlorophenyl)-3,6-diethyl-5-(2-ethylbutyl)pyrazine

2-(2,4-dichlorophenyl)-3,6-diethyl-5-(2-ethylbutyl)pyrazine (PubChem CID 53309402) has the molecular formula C20H26Cl2N2 and a molecular weight of 365.35 g/mol. Its IUPAC name is 2-(2,4-dichlorophenyl)-3,6-diethyl-5-(2-ethylbutyl)pyrazine.

Molecular Properties

Compound Name2-(2,4-dichlorophenyl)-3,6-diethyl-5-(2-ethylbutyl)pyrazine
PubChem CID53309402
Molecular FormulaC20H26Cl2N2
Molecular Weight365.35 g/mol
Exact Mass364.15
IUPAC Name2-(2,4-dichlorophenyl)-3,6-diethyl-5-(2-ethylbutyl)pyrazine
SMILESCCc1nc(-c2ccc(Cl)cc2Cl)c(CC)nc1CC(CC)CC
InChIInChI=1S/C20H26Cl2N2/c1-5-13(6-2)11-19-17(7-3)24-20(18(8-4)23-19)15-10-9-14(21)12-16(15)22/h9-10,12-13H,5-8,11H2,1-4H3
InChIKeyBIWJITFTDIQXLE-UHFFFAOYSA-N
XLogP6.55
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500365.35
LogP ≤ 56.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dichlorophenyl)-3,6-diethyl-5-(2-ethylbutyl)pyrazine?
The IUPAC name of 2-(2,4-dichlorophenyl)-3,6-diethyl-5-(2-ethylbutyl)pyrazine (CID 53309402) is 2-(2,4-dichlorophenyl)-3,6-diethyl-5-(2-ethylbutyl)pyrazine.
What is the SMILES notation for 2-(2,4-dichlorophenyl)-3,6-diethyl-5-(2-ethylbutyl)pyrazine?
The canonical SMILES for 2-(2,4-dichlorophenyl)-3,6-diethyl-5-(2-ethylbutyl)pyrazine is CCc1nc(-c2ccc(Cl)cc2Cl)c(CC)nc1CC(CC)CC.
What is the InChIKey of 2-(2,4-dichlorophenyl)-3,6-diethyl-5-(2-ethylbutyl)pyrazine?
The InChIKey is BIWJITFTDIQXLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26Cl2N2/c1-5-13(6-2)11-19-17(7-3)24-20(18(8-4)23-19)15-10-9-14(21)12-16(15)22/h9-10,12-13H,5-8,11H2,1-4H3.
What are the key properties of 2-(2,4-dichlorophenyl)-3,6-diethyl-5-(2-ethylbutyl)pyrazine?
2-(2,4-dichlorophenyl)-3,6-diethyl-5-(2-ethylbutyl)pyrazine has a molecular weight of 365.35 g/mol, XLogP of 6.55, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dichlorophenyl)-3,6-diethyl-5-(2-ethylbutyl)pyrazine is sourced from PubChem (CID 53309402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).