1-[3-(methylamino)-5-propan-2-ylpyrazin-2-yl]propan-1-one

C11H17N3O — CID 145188258

IUPAC1-[3-(methylamino)-5-propan-2-ylpyrazin-2-yl]propan-1-one
SMILESCCC(=O)c1ncc(C(C)C)nc1NC
InChIInChI=1S/C11H17N3O/c1-5-9(15)10-11(12-4)14-8(6-13-10)7(2)3/h6-7H,5H2,1-4H3,(H,12,14)
InChIKeyFNLOMMDCJCEBEF-UHFFFAOYSA-N
MW207.28 g/mol
LogP2.23
Rot. Bonds4

About 1-[3-(methylamino)-5-propan-2-ylpyrazin-2-yl]propan-1-one

1-[3-(methylamino)-5-propan-2-ylpyrazin-2-yl]propan-1-one (PubChem CID 145188258) has the molecular formula C11H17N3O and a molecular weight of 207.28 g/mol. Its IUPAC name is 1-[3-(methylamino)-5-propan-2-ylpyrazin-2-yl]propan-1-one.

Molecular Properties

Compound Name1-[3-(methylamino)-5-propan-2-ylpyrazin-2-yl]propan-1-one
PubChem CID145188258
Molecular FormulaC11H17N3O
Molecular Weight207.28 g/mol
Exact Mass207.14
IUPAC Name1-[3-(methylamino)-5-propan-2-ylpyrazin-2-yl]propan-1-one
SMILESCCC(=O)c1ncc(C(C)C)nc1NC
InChIInChI=1S/C11H17N3O/c1-5-9(15)10-11(12-4)14-8(6-13-10)7(2)3/h6-7H,5H2,1-4H3,(H,12,14)
InChIKeyFNLOMMDCJCEBEF-UHFFFAOYSA-N
XLogP2.23
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.28
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(methylamino)-5-propan-2-ylpyrazin-2-yl]propan-1-one?
The IUPAC name of 1-[3-(methylamino)-5-propan-2-ylpyrazin-2-yl]propan-1-one (CID 145188258) is 1-[3-(methylamino)-5-propan-2-ylpyrazin-2-yl]propan-1-one.
What is the SMILES notation for 1-[3-(methylamino)-5-propan-2-ylpyrazin-2-yl]propan-1-one?
The canonical SMILES for 1-[3-(methylamino)-5-propan-2-ylpyrazin-2-yl]propan-1-one is CCC(=O)c1ncc(C(C)C)nc1NC.
What is the InChIKey of 1-[3-(methylamino)-5-propan-2-ylpyrazin-2-yl]propan-1-one?
The InChIKey is FNLOMMDCJCEBEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O/c1-5-9(15)10-11(12-4)14-8(6-13-10)7(2)3/h6-7H,5H2,1-4H3,(H,12,14).
What are the key properties of 1-[3-(methylamino)-5-propan-2-ylpyrazin-2-yl]propan-1-one?
1-[3-(methylamino)-5-propan-2-ylpyrazin-2-yl]propan-1-one has a molecular weight of 207.28 g/mol, XLogP of 2.23, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(methylamino)-5-propan-2-ylpyrazin-2-yl]propan-1-one is sourced from PubChem (CID 145188258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).