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

C17H21Cl2N3 — CID 22249074

IUPAC5-(2,4-dichlorophenyl)-6-ethyl-N-pentan-3-ylpyrazin-2-amine
SMILESCCc1nc(NC(CC)CC)cnc1-c1ccc(Cl)cc1Cl
InChIInChI=1S/C17H21Cl2N3/c1-4-12(5-2)21-16-10-20-17(15(6-3)22-16)13-8-7-11(18)9-14(13)19/h7-10,12H,4-6H2,1-3H3,(H,21,22)
InChIKeyLWGSVRCYJDVBSI-UHFFFAOYSA-N
MW338.28 g/mol
LogP5.61
Rot. Bonds6

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

5-(2,4-dichlorophenyl)-6-ethyl-N-pentan-3-ylpyrazin-2-amine (PubChem CID 22249074) has the molecular formula C17H21Cl2N3 and a molecular weight of 338.28 g/mol. Its IUPAC name is 5-(2,4-dichlorophenyl)-6-ethyl-N-pentan-3-ylpyrazin-2-amine.

Molecular Properties

Compound Name5-(2,4-dichlorophenyl)-6-ethyl-N-pentan-3-ylpyrazin-2-amine
PubChem CID22249074
Molecular FormulaC17H21Cl2N3
Molecular Weight338.28 g/mol
Exact Mass337.11
IUPAC Name5-(2,4-dichlorophenyl)-6-ethyl-N-pentan-3-ylpyrazin-2-amine
SMILESCCc1nc(NC(CC)CC)cnc1-c1ccc(Cl)cc1Cl
InChIInChI=1S/C17H21Cl2N3/c1-4-12(5-2)21-16-10-20-17(15(6-3)22-16)13-8-7-11(18)9-14(13)19/h7-10,12H,4-6H2,1-3H3,(H,21,22)
InChIKeyLWGSVRCYJDVBSI-UHFFFAOYSA-N
XLogP5.61
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500338.28
LogP ≤ 55.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(2,4-dichlorophenyl)-6-ethyl-N-pentan-3-ylpyrazin-2-amine?
The IUPAC name of 5-(2,4-dichlorophenyl)-6-ethyl-N-pentan-3-ylpyrazin-2-amine (CID 22249074) is 5-(2,4-dichlorophenyl)-6-ethyl-N-pentan-3-ylpyrazin-2-amine.
What is the SMILES notation for 5-(2,4-dichlorophenyl)-6-ethyl-N-pentan-3-ylpyrazin-2-amine?
The canonical SMILES for 5-(2,4-dichlorophenyl)-6-ethyl-N-pentan-3-ylpyrazin-2-amine is CCc1nc(NC(CC)CC)cnc1-c1ccc(Cl)cc1Cl.
What is the InChIKey of 5-(2,4-dichlorophenyl)-6-ethyl-N-pentan-3-ylpyrazin-2-amine?
The InChIKey is LWGSVRCYJDVBSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21Cl2N3/c1-4-12(5-2)21-16-10-20-17(15(6-3)22-16)13-8-7-11(18)9-14(13)19/h7-10,12H,4-6H2,1-3H3,(H,21,22).
What are the key properties of 5-(2,4-dichlorophenyl)-6-ethyl-N-pentan-3-ylpyrazin-2-amine?
5-(2,4-dichlorophenyl)-6-ethyl-N-pentan-3-ylpyrazin-2-amine has a molecular weight of 338.28 g/mol, XLogP of 5.61, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,4-dichlorophenyl)-6-ethyl-N-pentan-3-ylpyrazin-2-amine is sourced from PubChem (CID 22249074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).