3-chloro-5-(2,4-dichlorophenyl)-6-ethyl-N-pentan-3-ylpyrazin-2-amine

C17H20Cl3N3 — CID 22249115

IUPAC3-chloro-5-(2,4-dichlorophenyl)-6-ethyl-N-pentan-3-ylpyrazin-2-amine
SMILESCCc1nc(NC(CC)CC)c(Cl)nc1-c1ccc(Cl)cc1Cl
InChIInChI=1S/C17H20Cl3N3/c1-4-11(5-2)21-17-16(20)23-15(14(6-3)22-17)12-8-7-10(18)9-13(12)19/h7-9,11H,4-6H2,1-3H3,(H,21,22)
InChIKeyIBOACTYGAOPPJN-UHFFFAOYSA-N
MW372.73 g/mol
LogP6.27
Rot. Bonds6

About 3-chloro-5-(2,4-dichlorophenyl)-6-ethyl-N-pentan-3-ylpyrazin-2-amine

3-chloro-5-(2,4-dichlorophenyl)-6-ethyl-N-pentan-3-ylpyrazin-2-amine (PubChem CID 22249115) has the molecular formula C17H20Cl3N3 and a molecular weight of 372.73 g/mol. Its IUPAC name is 3-chloro-5-(2,4-dichlorophenyl)-6-ethyl-N-pentan-3-ylpyrazin-2-amine.

Molecular Properties

Compound Name3-chloro-5-(2,4-dichlorophenyl)-6-ethyl-N-pentan-3-ylpyrazin-2-amine
PubChem CID22249115
Molecular FormulaC17H20Cl3N3
Molecular Weight372.73 g/mol
Exact Mass371.07
IUPAC Name3-chloro-5-(2,4-dichlorophenyl)-6-ethyl-N-pentan-3-ylpyrazin-2-amine
SMILESCCc1nc(NC(CC)CC)c(Cl)nc1-c1ccc(Cl)cc1Cl
InChIInChI=1S/C17H20Cl3N3/c1-4-11(5-2)21-17-16(20)23-15(14(6-3)22-17)12-8-7-10(18)9-13(12)19/h7-9,11H,4-6H2,1-3H3,(H,21,22)
InChIKeyIBOACTYGAOPPJN-UHFFFAOYSA-N
XLogP6.27
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.73
LogP ≤ 56.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-5-(2,4-dichlorophenyl)-6-ethyl-N-pentan-3-ylpyrazin-2-amine?
The IUPAC name of 3-chloro-5-(2,4-dichlorophenyl)-6-ethyl-N-pentan-3-ylpyrazin-2-amine (CID 22249115) is 3-chloro-5-(2,4-dichlorophenyl)-6-ethyl-N-pentan-3-ylpyrazin-2-amine.
What is the SMILES notation for 3-chloro-5-(2,4-dichlorophenyl)-6-ethyl-N-pentan-3-ylpyrazin-2-amine?
The canonical SMILES for 3-chloro-5-(2,4-dichlorophenyl)-6-ethyl-N-pentan-3-ylpyrazin-2-amine is CCc1nc(NC(CC)CC)c(Cl)nc1-c1ccc(Cl)cc1Cl.
What is the InChIKey of 3-chloro-5-(2,4-dichlorophenyl)-6-ethyl-N-pentan-3-ylpyrazin-2-amine?
The InChIKey is IBOACTYGAOPPJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20Cl3N3/c1-4-11(5-2)21-17-16(20)23-15(14(6-3)22-17)12-8-7-10(18)9-13(12)19/h7-9,11H,4-6H2,1-3H3,(H,21,22).
What are the key properties of 3-chloro-5-(2,4-dichlorophenyl)-6-ethyl-N-pentan-3-ylpyrazin-2-amine?
3-chloro-5-(2,4-dichlorophenyl)-6-ethyl-N-pentan-3-ylpyrazin-2-amine has a molecular weight of 372.73 g/mol, XLogP of 6.27, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-5-(2,4-dichlorophenyl)-6-ethyl-N-pentan-3-ylpyrazin-2-amine is sourced from PubChem (CID 22249115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).