3-(1-cyclohexylpropylamino)-1H-pyrazin-2-one

C13H21N3O — CID 113243776

IUPAC3-(1-cyclohexylpropylamino)-1H-pyrazin-2-one
SMILESCCC(Nc1ncc[nH]c1=O)C1CCCCC1
InChIInChI=1S/C13H21N3O/c1-2-11(10-6-4-3-5-7-10)16-12-13(17)15-9-8-14-12/h8-11H,2-7H2,1H3,(H,14,16)(H,15,17)
InChIKeyAUYWFRSVJAEDLV-UHFFFAOYSA-N
MW235.33 g/mol
LogP2.54
Rot. Bonds4

About 3-(1-cyclohexylpropylamino)-1H-pyrazin-2-one

3-(1-cyclohexylpropylamino)-1H-pyrazin-2-one (PubChem CID 113243776) has the molecular formula C13H21N3O and a molecular weight of 235.33 g/mol. Its IUPAC name is 3-(1-cyclohexylpropylamino)-1H-pyrazin-2-one.

Molecular Properties

Compound Name3-(1-cyclohexylpropylamino)-1H-pyrazin-2-one
PubChem CID113243776
Molecular FormulaC13H21N3O
Molecular Weight235.33 g/mol
Exact Mass235.17
IUPAC Name3-(1-cyclohexylpropylamino)-1H-pyrazin-2-one
SMILESCCC(Nc1ncc[nH]c1=O)C1CCCCC1
InChIInChI=1S/C13H21N3O/c1-2-11(10-6-4-3-5-7-10)16-12-13(17)15-9-8-14-12/h8-11H,2-7H2,1H3,(H,14,16)(H,15,17)
InChIKeyAUYWFRSVJAEDLV-UHFFFAOYSA-N
XLogP2.54
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(1-cyclohexylpropylamino)-1H-pyrazin-2-one?
The IUPAC name of 3-(1-cyclohexylpropylamino)-1H-pyrazin-2-one (CID 113243776) is 3-(1-cyclohexylpropylamino)-1H-pyrazin-2-one.
What is the SMILES notation for 3-(1-cyclohexylpropylamino)-1H-pyrazin-2-one?
The canonical SMILES for 3-(1-cyclohexylpropylamino)-1H-pyrazin-2-one is CCC(Nc1ncc[nH]c1=O)C1CCCCC1.
What is the InChIKey of 3-(1-cyclohexylpropylamino)-1H-pyrazin-2-one?
The InChIKey is AUYWFRSVJAEDLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O/c1-2-11(10-6-4-3-5-7-10)16-12-13(17)15-9-8-14-12/h8-11H,2-7H2,1H3,(H,14,16)(H,15,17).
What are the key properties of 3-(1-cyclohexylpropylamino)-1H-pyrazin-2-one?
3-(1-cyclohexylpropylamino)-1H-pyrazin-2-one has a molecular weight of 235.33 g/mol, XLogP of 2.54, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-cyclohexylpropylamino)-1H-pyrazin-2-one is sourced from PubChem (CID 113243776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).