5-chloro-1-pentan-3-yl-3-(2,4,6-trimethylanilino)pyrazin-2-one

C18H24ClN3O — CID 15485770

IUPAC5-chloro-1-pentan-3-yl-3-(2,4,6-trimethylanilino)pyrazin-2-one
SMILESCCC(CC)n1cc(Cl)nc(Nc2c(C)cc(C)cc2C)c1=O
InChIInChI=1S/C18H24ClN3O/c1-6-14(7-2)22-10-15(19)20-17(18(22)23)21-16-12(4)8-11(3)9-13(16)5/h8-10,14H,6-7H2,1-5H3,(H,20,21)
InChIKeyLUZPSLKWMMQYTN-UHFFFAOYSA-N
MW333.86 g/mol
LogP4.93
Rot. Bonds5

About 5-chloro-1-pentan-3-yl-3-(2,4,6-trimethylanilino)pyrazin-2-one

5-chloro-1-pentan-3-yl-3-(2,4,6-trimethylanilino)pyrazin-2-one (PubChem CID 15485770) has the molecular formula C18H24ClN3O and a molecular weight of 333.86 g/mol. Its IUPAC name is 5-chloro-1-pentan-3-yl-3-(2,4,6-trimethylanilino)pyrazin-2-one.

Molecular Properties

Compound Name5-chloro-1-pentan-3-yl-3-(2,4,6-trimethylanilino)pyrazin-2-one
PubChem CID15485770
Molecular FormulaC18H24ClN3O
Molecular Weight333.86 g/mol
Exact Mass333.16
IUPAC Name5-chloro-1-pentan-3-yl-3-(2,4,6-trimethylanilino)pyrazin-2-one
SMILESCCC(CC)n1cc(Cl)nc(Nc2c(C)cc(C)cc2C)c1=O
InChIInChI=1S/C18H24ClN3O/c1-6-14(7-2)22-10-15(19)20-17(18(22)23)21-16-12(4)8-11(3)9-13(16)5/h8-10,14H,6-7H2,1-5H3,(H,20,21)
InChIKeyLUZPSLKWMMQYTN-UHFFFAOYSA-N
XLogP4.93
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.86
LogP ≤ 54.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-1-pentan-3-yl-3-(2,4,6-trimethylanilino)pyrazin-2-one?
The IUPAC name of 5-chloro-1-pentan-3-yl-3-(2,4,6-trimethylanilino)pyrazin-2-one (CID 15485770) is 5-chloro-1-pentan-3-yl-3-(2,4,6-trimethylanilino)pyrazin-2-one.
What is the SMILES notation for 5-chloro-1-pentan-3-yl-3-(2,4,6-trimethylanilino)pyrazin-2-one?
The canonical SMILES for 5-chloro-1-pentan-3-yl-3-(2,4,6-trimethylanilino)pyrazin-2-one is CCC(CC)n1cc(Cl)nc(Nc2c(C)cc(C)cc2C)c1=O.
What is the InChIKey of 5-chloro-1-pentan-3-yl-3-(2,4,6-trimethylanilino)pyrazin-2-one?
The InChIKey is LUZPSLKWMMQYTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24ClN3O/c1-6-14(7-2)22-10-15(19)20-17(18(22)23)21-16-12(4)8-11(3)9-13(16)5/h8-10,14H,6-7H2,1-5H3,(H,20,21).
What are the key properties of 5-chloro-1-pentan-3-yl-3-(2,4,6-trimethylanilino)pyrazin-2-one?
5-chloro-1-pentan-3-yl-3-(2,4,6-trimethylanilino)pyrazin-2-one has a molecular weight of 333.86 g/mol, XLogP of 4.93, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-1-pentan-3-yl-3-(2,4,6-trimethylanilino)pyrazin-2-one is sourced from PubChem (CID 15485770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).