3-(1-cyclohexylethylamino)-1-propan-2-ylpyrazin-2-one

C15H25N3O — CID 55155652

IUPAC3-(1-cyclohexylethylamino)-1-propan-2-ylpyrazin-2-one
SMILESCC(Nc1nccn(C(C)C)c1=O)C1CCCCC1
InChIInChI=1S/C15H25N3O/c1-11(2)18-10-9-16-14(15(18)19)17-12(3)13-7-5-4-6-8-13/h9-13H,4-8H2,1-3H3,(H,16,17)
InChIKeyCUVHLLQJDKMWPQ-UHFFFAOYSA-N
MW263.38 g/mol
LogP3.20
Rot. Bonds4

About 3-(1-cyclohexylethylamino)-1-propan-2-ylpyrazin-2-one

3-(1-cyclohexylethylamino)-1-propan-2-ylpyrazin-2-one (PubChem CID 55155652) has the molecular formula C15H25N3O and a molecular weight of 263.38 g/mol. Its IUPAC name is 3-(1-cyclohexylethylamino)-1-propan-2-ylpyrazin-2-one.

Molecular Properties

Compound Name3-(1-cyclohexylethylamino)-1-propan-2-ylpyrazin-2-one
PubChem CID55155652
Molecular FormulaC15H25N3O
Molecular Weight263.38 g/mol
Exact Mass263.20
IUPAC Name3-(1-cyclohexylethylamino)-1-propan-2-ylpyrazin-2-one
SMILESCC(Nc1nccn(C(C)C)c1=O)C1CCCCC1
InChIInChI=1S/C15H25N3O/c1-11(2)18-10-9-16-14(15(18)19)17-12(3)13-7-5-4-6-8-13/h9-13H,4-8H2,1-3H3,(H,16,17)
InChIKeyCUVHLLQJDKMWPQ-UHFFFAOYSA-N
XLogP3.20
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(1-cyclohexylethylamino)-1-propan-2-ylpyrazin-2-one?
The IUPAC name of 3-(1-cyclohexylethylamino)-1-propan-2-ylpyrazin-2-one (CID 55155652) is 3-(1-cyclohexylethylamino)-1-propan-2-ylpyrazin-2-one.
What is the SMILES notation for 3-(1-cyclohexylethylamino)-1-propan-2-ylpyrazin-2-one?
The canonical SMILES for 3-(1-cyclohexylethylamino)-1-propan-2-ylpyrazin-2-one is CC(Nc1nccn(C(C)C)c1=O)C1CCCCC1.
What is the InChIKey of 3-(1-cyclohexylethylamino)-1-propan-2-ylpyrazin-2-one?
The InChIKey is CUVHLLQJDKMWPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O/c1-11(2)18-10-9-16-14(15(18)19)17-12(3)13-7-5-4-6-8-13/h9-13H,4-8H2,1-3H3,(H,16,17).
What are the key properties of 3-(1-cyclohexylethylamino)-1-propan-2-ylpyrazin-2-one?
3-(1-cyclohexylethylamino)-1-propan-2-ylpyrazin-2-one has a molecular weight of 263.38 g/mol, XLogP of 3.20, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-cyclohexylethylamino)-1-propan-2-ylpyrazin-2-one is sourced from PubChem (CID 55155652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).