1,3-di(propan-2-yl)pyrazine

C10H16N2 — CID 135212822

IUPAC1,3-di(propan-2-yl)pyrazine
SMILESCC(C)C1=CN(C(C)C)C=C=N1
InChIInChI=1S/C10H16N2/c1-8(2)10-7-12(9(3)4)6-5-11-10/h6-9H,1-4H3
InChIKeyLVGLYBSUHJUMAX-UHFFFAOYSA-N
MW164.25 g/mol
LogP2.39
Rot. Bonds2

About 1,3-di(propan-2-yl)pyrazine

1,3-di(propan-2-yl)pyrazine (PubChem CID 135212822) has the molecular formula C10H16N2 and a molecular weight of 164.25 g/mol. Its IUPAC name is 1,3-di(propan-2-yl)pyrazine.

Molecular Properties

Compound Name1,3-di(propan-2-yl)pyrazine
PubChem CID135212822
Molecular FormulaC10H16N2
Molecular Weight164.25 g/mol
Exact Mass164.13
IUPAC Name1,3-di(propan-2-yl)pyrazine
SMILESCC(C)C1=CN(C(C)C)C=C=N1
InChIInChI=1S/C10H16N2/c1-8(2)10-7-12(9(3)4)6-5-11-10/h6-9H,1-4H3
InChIKeyLVGLYBSUHJUMAX-UHFFFAOYSA-N
XLogP2.39
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.25
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,3-di(propan-2-yl)pyrazine?
The IUPAC name of 1,3-di(propan-2-yl)pyrazine (CID 135212822) is 1,3-di(propan-2-yl)pyrazine.
What is the SMILES notation for 1,3-di(propan-2-yl)pyrazine?
The canonical SMILES for 1,3-di(propan-2-yl)pyrazine is CC(C)C1=CN(C(C)C)C=C=N1.
What is the InChIKey of 1,3-di(propan-2-yl)pyrazine?
The InChIKey is LVGLYBSUHJUMAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2/c1-8(2)10-7-12(9(3)4)6-5-11-10/h6-9H,1-4H3.
What are the key properties of 1,3-di(propan-2-yl)pyrazine?
1,3-di(propan-2-yl)pyrazine has a molecular weight of 164.25 g/mol, XLogP of 2.39, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-di(propan-2-yl)pyrazine is sourced from PubChem (CID 135212822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).