2,4-dimethyl-1-propan-2-ylpyrazine

C9H16N2 — CID 135141900

IUPAC2,4-dimethyl-1-propan-2-ylpyrazine
SMILESCC1=CN(C)C=CN1C(C)C
InChIInChI=1S/C9H16N2/c1-8(2)11-6-5-10(4)7-9(11)3/h5-8H,1-4H3
InChIKeyIHBREGJKFJPUHG-UHFFFAOYSA-N
MW152.24 g/mol
LogP1.97
Rot. Bonds1

About 2,4-dimethyl-1-propan-2-ylpyrazine

2,4-dimethyl-1-propan-2-ylpyrazine (PubChem CID 135141900) has the molecular formula C9H16N2 and a molecular weight of 152.24 g/mol. Its IUPAC name is 2,4-dimethyl-1-propan-2-ylpyrazine.

Molecular Properties

Compound Name2,4-dimethyl-1-propan-2-ylpyrazine
PubChem CID135141900
Molecular FormulaC9H16N2
Molecular Weight152.24 g/mol
Exact Mass152.13
IUPAC Name2,4-dimethyl-1-propan-2-ylpyrazine
SMILESCC1=CN(C)C=CN1C(C)C
InChIInChI=1S/C9H16N2/c1-8(2)11-6-5-10(4)7-9(11)3/h5-8H,1-4H3
InChIKeyIHBREGJKFJPUHG-UHFFFAOYSA-N
XLogP1.97
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.24
LogP ≤ 51.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-1-propan-2-ylpyrazine?
The IUPAC name of 2,4-dimethyl-1-propan-2-ylpyrazine (CID 135141900) is 2,4-dimethyl-1-propan-2-ylpyrazine.
What is the SMILES notation for 2,4-dimethyl-1-propan-2-ylpyrazine?
The canonical SMILES for 2,4-dimethyl-1-propan-2-ylpyrazine is CC1=CN(C)C=CN1C(C)C.
What is the InChIKey of 2,4-dimethyl-1-propan-2-ylpyrazine?
The InChIKey is IHBREGJKFJPUHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2/c1-8(2)11-6-5-10(4)7-9(11)3/h5-8H,1-4H3.
What are the key properties of 2,4-dimethyl-1-propan-2-ylpyrazine?
2,4-dimethyl-1-propan-2-ylpyrazine has a molecular weight of 152.24 g/mol, XLogP of 1.97, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-1-propan-2-ylpyrazine is sourced from PubChem (CID 135141900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).