2-methyl-5-propan-2-ylpyrazine;5-propan-2-yl-1H-pyridin-2-one

C16H23N3O — CID 143798753

IUPAC2-methyl-5-propan-2-ylpyrazine;5-propan-2-yl-1H-pyridin-2-one
SMILESCC(C)c1ccc(=O)[nH]c1.Cc1cnc(C(C)C)cn1
InChIInChI=1S/C8H12N2.C8H11NO/c1-6(2)8-5-9-7(3)4-10-8;1-6(2)7-3-4-8(10)9-5-7/h4-6H,1-3H3;3-6H,1-2H3,(H,9,10)
InChIKeyXZWQCSAPOGENAO-UHFFFAOYSA-N
MW273.38 g/mol
LogP3.41
Rot. Bonds2

About 2-methyl-5-propan-2-ylpyrazine;5-propan-2-yl-1H-pyridin-2-one

2-methyl-5-propan-2-ylpyrazine;5-propan-2-yl-1H-pyridin-2-one (PubChem CID 143798753) has the molecular formula C16H23N3O and a molecular weight of 273.38 g/mol. Its IUPAC name is 2-methyl-5-propan-2-ylpyrazine;5-propan-2-yl-1H-pyridin-2-one.

Molecular Properties

Compound Name2-methyl-5-propan-2-ylpyrazine;5-propan-2-yl-1H-pyridin-2-one
PubChem CID143798753
Molecular FormulaC16H23N3O
Molecular Weight273.38 g/mol
Exact Mass273.18
IUPAC Name2-methyl-5-propan-2-ylpyrazine;5-propan-2-yl-1H-pyridin-2-one
SMILESCC(C)c1ccc(=O)[nH]c1.Cc1cnc(C(C)C)cn1
InChIInChI=1S/C8H12N2.C8H11NO/c1-6(2)8-5-9-7(3)4-10-8;1-6(2)7-3-4-8(10)9-5-7/h4-6H,1-3H3;3-6H,1-2H3,(H,9,10)
InChIKeyXZWQCSAPOGENAO-UHFFFAOYSA-N
XLogP3.41
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-propan-2-ylpyrazine;5-propan-2-yl-1H-pyridin-2-one?
The IUPAC name of 2-methyl-5-propan-2-ylpyrazine;5-propan-2-yl-1H-pyridin-2-one (CID 143798753) is 2-methyl-5-propan-2-ylpyrazine;5-propan-2-yl-1H-pyridin-2-one.
What is the SMILES notation for 2-methyl-5-propan-2-ylpyrazine;5-propan-2-yl-1H-pyridin-2-one?
The canonical SMILES for 2-methyl-5-propan-2-ylpyrazine;5-propan-2-yl-1H-pyridin-2-one is CC(C)c1ccc(=O)[nH]c1.Cc1cnc(C(C)C)cn1.
What is the InChIKey of 2-methyl-5-propan-2-ylpyrazine;5-propan-2-yl-1H-pyridin-2-one?
The InChIKey is XZWQCSAPOGENAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2.C8H11NO/c1-6(2)8-5-9-7(3)4-10-8;1-6(2)7-3-4-8(10)9-5-7/h4-6H,1-3H3;3-6H,1-2H3,(H,9,10).
What are the key properties of 2-methyl-5-propan-2-ylpyrazine;5-propan-2-yl-1H-pyridin-2-one?
2-methyl-5-propan-2-ylpyrazine;5-propan-2-yl-1H-pyridin-2-one has a molecular weight of 273.38 g/mol, XLogP of 3.41, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-propan-2-ylpyrazine;5-propan-2-yl-1H-pyridin-2-one is sourced from PubChem (CID 143798753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).