6-(3-aminopiperidin-1-yl)-3-(2,3-dichlorophenyl)pyrazin-2-amine

C15H17Cl2N5 — CID 123205377

IUPAC6-(3-aminopiperidin-1-yl)-3-(2,3-dichlorophenyl)pyrazin-2-amine
SMILESNc1nc(N2CCCC(N)C2)cnc1-c1cccc(Cl)c1Cl
InChIInChI=1S/C15H17Cl2N5/c16-11-5-1-4-10(13(11)17)14-15(19)21-12(7-20-14)22-6-2-3-9(18)8-22/h1,4-5,7,9H,2-3,6,8,18H2,(H2,19,21)
InChIKeyIPWFHBXKSWSLDR-UHFFFAOYSA-N
MW338.24 g/mol
LogP2.96
Rot. Bonds2

About 6-(3-aminopiperidin-1-yl)-3-(2,3-dichlorophenyl)pyrazin-2-amine

6-(3-aminopiperidin-1-yl)-3-(2,3-dichlorophenyl)pyrazin-2-amine (PubChem CID 123205377) has the molecular formula C15H17Cl2N5 and a molecular weight of 338.24 g/mol. Its IUPAC name is 6-(3-aminopiperidin-1-yl)-3-(2,3-dichlorophenyl)pyrazin-2-amine.

Molecular Properties

Compound Name6-(3-aminopiperidin-1-yl)-3-(2,3-dichlorophenyl)pyrazin-2-amine
PubChem CID123205377
Molecular FormulaC15H17Cl2N5
Molecular Weight338.24 g/mol
Exact Mass337.09
IUPAC Name6-(3-aminopiperidin-1-yl)-3-(2,3-dichlorophenyl)pyrazin-2-amine
SMILESNc1nc(N2CCCC(N)C2)cnc1-c1cccc(Cl)c1Cl
InChIInChI=1S/C15H17Cl2N5/c16-11-5-1-4-10(13(11)17)14-15(19)21-12(7-20-14)22-6-2-3-9(18)8-22/h1,4-5,7,9H,2-3,6,8,18H2,(H2,19,21)
InChIKeyIPWFHBXKSWSLDR-UHFFFAOYSA-N
XLogP2.96
TPSA81.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.24
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(3-aminopiperidin-1-yl)-3-(2,3-dichlorophenyl)pyrazin-2-amine?
The IUPAC name of 6-(3-aminopiperidin-1-yl)-3-(2,3-dichlorophenyl)pyrazin-2-amine (CID 123205377) is 6-(3-aminopiperidin-1-yl)-3-(2,3-dichlorophenyl)pyrazin-2-amine.
What is the SMILES notation for 6-(3-aminopiperidin-1-yl)-3-(2,3-dichlorophenyl)pyrazin-2-amine?
The canonical SMILES for 6-(3-aminopiperidin-1-yl)-3-(2,3-dichlorophenyl)pyrazin-2-amine is Nc1nc(N2CCCC(N)C2)cnc1-c1cccc(Cl)c1Cl.
What is the InChIKey of 6-(3-aminopiperidin-1-yl)-3-(2,3-dichlorophenyl)pyrazin-2-amine?
The InChIKey is IPWFHBXKSWSLDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17Cl2N5/c16-11-5-1-4-10(13(11)17)14-15(19)21-12(7-20-14)22-6-2-3-9(18)8-22/h1,4-5,7,9H,2-3,6,8,18H2,(H2,19,21).
What are the key properties of 6-(3-aminopiperidin-1-yl)-3-(2,3-dichlorophenyl)pyrazin-2-amine?
6-(3-aminopiperidin-1-yl)-3-(2,3-dichlorophenyl)pyrazin-2-amine has a molecular weight of 338.24 g/mol, XLogP of 2.96, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-aminopiperidin-1-yl)-3-(2,3-dichlorophenyl)pyrazin-2-amine is sourced from PubChem (CID 123205377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).