1,4-di(propan-2-yl)pyrazine

C10H18N2 — CID 59559378

IUPAC1,4-di(propan-2-yl)pyrazine
SMILESCC(C)N1C=CN(C(C)C)C=C1
InChIInChI=1S/C10H18N2/c1-9(2)11-5-7-12(8-6-11)10(3)4/h5-10H,1-4H3
InChIKeyYYGUSLQMIHEWAG-UHFFFAOYSA-N
MW166.27 g/mol
LogP2.36
Rot. Bonds2

About 1,4-di(propan-2-yl)pyrazine

1,4-di(propan-2-yl)pyrazine (PubChem CID 59559378) has the molecular formula C10H18N2 and a molecular weight of 166.27 g/mol. Its IUPAC name is 1,4-di(propan-2-yl)pyrazine.

Molecular Properties

Compound Name1,4-di(propan-2-yl)pyrazine
PubChem CID59559378
Molecular FormulaC10H18N2
Molecular Weight166.27 g/mol
Exact Mass166.15
IUPAC Name1,4-di(propan-2-yl)pyrazine
SMILESCC(C)N1C=CN(C(C)C)C=C1
InChIInChI=1S/C10H18N2/c1-9(2)11-5-7-12(8-6-11)10(3)4/h5-10H,1-4H3
InChIKeyYYGUSLQMIHEWAG-UHFFFAOYSA-N
XLogP2.36
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.27
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,4-di(propan-2-yl)pyrazine?
The IUPAC name of 1,4-di(propan-2-yl)pyrazine (CID 59559378) is 1,4-di(propan-2-yl)pyrazine.
What is the SMILES notation for 1,4-di(propan-2-yl)pyrazine?
The canonical SMILES for 1,4-di(propan-2-yl)pyrazine is CC(C)N1C=CN(C(C)C)C=C1.
What is the InChIKey of 1,4-di(propan-2-yl)pyrazine?
The InChIKey is YYGUSLQMIHEWAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2/c1-9(2)11-5-7-12(8-6-11)10(3)4/h5-10H,1-4H3.
What are the key properties of 1,4-di(propan-2-yl)pyrazine?
1,4-di(propan-2-yl)pyrazine has a molecular weight of 166.27 g/mol, XLogP of 2.36, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-di(propan-2-yl)pyrazine is sourced from PubChem (CID 59559378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).