3-(2,3-dichlorophenyl)sulfanyl-6-piperazin-1-ylpyrazin-2-amine

C14H15Cl2N5S — CID 167432565

IUPAC3-(2,3-dichlorophenyl)sulfanyl-6-piperazin-1-ylpyrazin-2-amine
SMILESNc1nc(N2CCNCC2)cnc1Sc1cccc(Cl)c1Cl
InChIInChI=1S/C14H15Cl2N5S/c15-9-2-1-3-10(12(9)16)22-14-13(17)20-11(8-19-14)21-6-4-18-5-7-21/h1-3,8,18H,4-7H2,(H2,17,20)
InChIKeyHFXGVBUYBVYPPI-UHFFFAOYSA-N
MW356.28 g/mol
LogP2.93
Rot. Bonds3

About 3-(2,3-dichlorophenyl)sulfanyl-6-piperazin-1-ylpyrazin-2-amine

3-(2,3-dichlorophenyl)sulfanyl-6-piperazin-1-ylpyrazin-2-amine (PubChem CID 167432565) has the molecular formula C14H15Cl2N5S and a molecular weight of 356.28 g/mol. Its IUPAC name is 3-(2,3-dichlorophenyl)sulfanyl-6-piperazin-1-ylpyrazin-2-amine.

Molecular Properties

Compound Name3-(2,3-dichlorophenyl)sulfanyl-6-piperazin-1-ylpyrazin-2-amine
PubChem CID167432565
Molecular FormulaC14H15Cl2N5S
Molecular Weight356.28 g/mol
Exact Mass355.04
IUPAC Name3-(2,3-dichlorophenyl)sulfanyl-6-piperazin-1-ylpyrazin-2-amine
SMILESNc1nc(N2CCNCC2)cnc1Sc1cccc(Cl)c1Cl
InChIInChI=1S/C14H15Cl2N5S/c15-9-2-1-3-10(12(9)16)22-14-13(17)20-11(8-19-14)21-6-4-18-5-7-21/h1-3,8,18H,4-7H2,(H2,17,20)
InChIKeyHFXGVBUYBVYPPI-UHFFFAOYSA-N
XLogP2.93
TPSA67.07 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.28
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(2,3-dichlorophenyl)sulfanyl-6-piperazin-1-ylpyrazin-2-amine?
The IUPAC name of 3-(2,3-dichlorophenyl)sulfanyl-6-piperazin-1-ylpyrazin-2-amine (CID 167432565) is 3-(2,3-dichlorophenyl)sulfanyl-6-piperazin-1-ylpyrazin-2-amine.
What is the SMILES notation for 3-(2,3-dichlorophenyl)sulfanyl-6-piperazin-1-ylpyrazin-2-amine?
The canonical SMILES for 3-(2,3-dichlorophenyl)sulfanyl-6-piperazin-1-ylpyrazin-2-amine is Nc1nc(N2CCNCC2)cnc1Sc1cccc(Cl)c1Cl.
What is the InChIKey of 3-(2,3-dichlorophenyl)sulfanyl-6-piperazin-1-ylpyrazin-2-amine?
The InChIKey is HFXGVBUYBVYPPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15Cl2N5S/c15-9-2-1-3-10(12(9)16)22-14-13(17)20-11(8-19-14)21-6-4-18-5-7-21/h1-3,8,18H,4-7H2,(H2,17,20).
What are the key properties of 3-(2,3-dichlorophenyl)sulfanyl-6-piperazin-1-ylpyrazin-2-amine?
3-(2,3-dichlorophenyl)sulfanyl-6-piperazin-1-ylpyrazin-2-amine has a molecular weight of 356.28 g/mol, XLogP of 2.93, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-dichlorophenyl)sulfanyl-6-piperazin-1-ylpyrazin-2-amine is sourced from PubChem (CID 167432565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).