N'-[5,6-bis(4-chlorophenyl)pyrazin-2-yl]-N'-ethyl-N,N-dimethylethane-1,2-diamine

C22H24Cl2N4 — CID 143313587

IUPACN'-[5,6-bis(4-chlorophenyl)pyrazin-2-yl]-N'-ethyl-N,N-dimethylethane-1,2-diamine
SMILESCCN(CCN(C)C)c1cnc(-c2ccc(Cl)cc2)c(-c2ccc(Cl)cc2)n1
InChIInChI=1S/C22H24Cl2N4/c1-4-28(14-13-27(2)3)20-15-25-21(16-5-9-18(23)10-6-16)22(26-20)17-7-11-19(24)12-8-17/h5-12,15H,4,13-14H2,1-3H3
InChIKeyOBTKFLISLAJZAS-UHFFFAOYSA-N
MW415.37 g/mol
LogP5.51
Rot. Bonds7

About N'-[5,6-bis(4-chlorophenyl)pyrazin-2-yl]-N'-ethyl-N,N-dimethylethane-1,2-diamine

N'-[5,6-bis(4-chlorophenyl)pyrazin-2-yl]-N'-ethyl-N,N-dimethylethane-1,2-diamine (PubChem CID 143313587) has the molecular formula C22H24Cl2N4 and a molecular weight of 415.37 g/mol. Its IUPAC name is N'-[5,6-bis(4-chlorophenyl)pyrazin-2-yl]-N'-ethyl-N,N-dimethylethane-1,2-diamine.

Molecular Properties

Compound NameN'-[5,6-bis(4-chlorophenyl)pyrazin-2-yl]-N'-ethyl-N,N-dimethylethane-1,2-diamine
PubChem CID143313587
Molecular FormulaC22H24Cl2N4
Molecular Weight415.37 g/mol
Exact Mass414.14
IUPAC NameN'-[5,6-bis(4-chlorophenyl)pyrazin-2-yl]-N'-ethyl-N,N-dimethylethane-1,2-diamine
SMILESCCN(CCN(C)C)c1cnc(-c2ccc(Cl)cc2)c(-c2ccc(Cl)cc2)n1
InChIInChI=1S/C22H24Cl2N4/c1-4-28(14-13-27(2)3)20-15-25-21(16-5-9-18(23)10-6-16)22(26-20)17-7-11-19(24)12-8-17/h5-12,15H,4,13-14H2,1-3H3
InChIKeyOBTKFLISLAJZAS-UHFFFAOYSA-N
XLogP5.51
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500415.37
LogP ≤ 55.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N'-[5,6-bis(4-chlorophenyl)pyrazin-2-yl]-N'-ethyl-N,N-dimethylethane-1,2-diamine?
The IUPAC name of N'-[5,6-bis(4-chlorophenyl)pyrazin-2-yl]-N'-ethyl-N,N-dimethylethane-1,2-diamine (CID 143313587) is N'-[5,6-bis(4-chlorophenyl)pyrazin-2-yl]-N'-ethyl-N,N-dimethylethane-1,2-diamine.
What is the SMILES notation for N'-[5,6-bis(4-chlorophenyl)pyrazin-2-yl]-N'-ethyl-N,N-dimethylethane-1,2-diamine?
The canonical SMILES for N'-[5,6-bis(4-chlorophenyl)pyrazin-2-yl]-N'-ethyl-N,N-dimethylethane-1,2-diamine is CCN(CCN(C)C)c1cnc(-c2ccc(Cl)cc2)c(-c2ccc(Cl)cc2)n1.
What is the InChIKey of N'-[5,6-bis(4-chlorophenyl)pyrazin-2-yl]-N'-ethyl-N,N-dimethylethane-1,2-diamine?
The InChIKey is OBTKFLISLAJZAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24Cl2N4/c1-4-28(14-13-27(2)3)20-15-25-21(16-5-9-18(23)10-6-16)22(26-20)17-7-11-19(24)12-8-17/h5-12,15H,4,13-14H2,1-3H3.
What are the key properties of N'-[5,6-bis(4-chlorophenyl)pyrazin-2-yl]-N'-ethyl-N,N-dimethylethane-1,2-diamine?
N'-[5,6-bis(4-chlorophenyl)pyrazin-2-yl]-N'-ethyl-N,N-dimethylethane-1,2-diamine has a molecular weight of 415.37 g/mol, XLogP of 5.51, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[5,6-bis(4-chlorophenyl)pyrazin-2-yl]-N'-ethyl-N,N-dimethylethane-1,2-diamine is sourced from PubChem (CID 143313587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).