2,5-dichloro-3-(2-methylpropyl)-6-propan-2-ylpyrazine

C11H16Cl2N2 — CID 12722501

IUPAC2,5-dichloro-3-(2-methylpropyl)-6-propan-2-ylpyrazine
SMILESCC(C)Cc1nc(Cl)c(C(C)C)nc1Cl
InChIInChI=1S/C11H16Cl2N2/c1-6(2)5-8-10(12)15-9(7(3)4)11(13)14-8/h6-7H,5H2,1-4H3
InChIKeySKLAJOPGTHXFBO-UHFFFAOYSA-N
MW247.17 g/mol
LogP4.11
Rot. Bonds3

About 2,5-dichloro-3-(2-methylpropyl)-6-propan-2-ylpyrazine

2,5-dichloro-3-(2-methylpropyl)-6-propan-2-ylpyrazine (PubChem CID 12722501) has the molecular formula C11H16Cl2N2 and a molecular weight of 247.17 g/mol. Its IUPAC name is 2,5-dichloro-3-(2-methylpropyl)-6-propan-2-ylpyrazine.

Molecular Properties

Compound Name2,5-dichloro-3-(2-methylpropyl)-6-propan-2-ylpyrazine
PubChem CID12722501
Molecular FormulaC11H16Cl2N2
Molecular Weight247.17 g/mol
Exact Mass246.07
IUPAC Name2,5-dichloro-3-(2-methylpropyl)-6-propan-2-ylpyrazine
SMILESCC(C)Cc1nc(Cl)c(C(C)C)nc1Cl
InChIInChI=1S/C11H16Cl2N2/c1-6(2)5-8-10(12)15-9(7(3)4)11(13)14-8/h6-7H,5H2,1-4H3
InChIKeySKLAJOPGTHXFBO-UHFFFAOYSA-N
XLogP4.11
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.17
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-3-(2-methylpropyl)-6-propan-2-ylpyrazine?
The IUPAC name of 2,5-dichloro-3-(2-methylpropyl)-6-propan-2-ylpyrazine (CID 12722501) is 2,5-dichloro-3-(2-methylpropyl)-6-propan-2-ylpyrazine.
What is the SMILES notation for 2,5-dichloro-3-(2-methylpropyl)-6-propan-2-ylpyrazine?
The canonical SMILES for 2,5-dichloro-3-(2-methylpropyl)-6-propan-2-ylpyrazine is CC(C)Cc1nc(Cl)c(C(C)C)nc1Cl.
What is the InChIKey of 2,5-dichloro-3-(2-methylpropyl)-6-propan-2-ylpyrazine?
The InChIKey is SKLAJOPGTHXFBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16Cl2N2/c1-6(2)5-8-10(12)15-9(7(3)4)11(13)14-8/h6-7H,5H2,1-4H3.
What are the key properties of 2,5-dichloro-3-(2-methylpropyl)-6-propan-2-ylpyrazine?
2,5-dichloro-3-(2-methylpropyl)-6-propan-2-ylpyrazine has a molecular weight of 247.17 g/mol, XLogP of 4.11, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dichloro-3-(2-methylpropyl)-6-propan-2-ylpyrazine is sourced from PubChem (CID 12722501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).