3-(cyclohexylmethylamino)-1-propylpyrazin-2-one

C14H23N3O — CID 55156798

IUPAC3-(cyclohexylmethylamino)-1-propylpyrazin-2-one
SMILESCCCn1ccnc(NCC2CCCCC2)c1=O
InChIInChI=1S/C14H23N3O/c1-2-9-17-10-8-15-13(14(17)18)16-11-12-6-4-3-5-7-12/h8,10,12H,2-7,9,11H2,1H3,(H,15,16)
InChIKeyJNNLQSLWFMSVDQ-UHFFFAOYSA-N
MW249.36 g/mol
LogP2.65
Rot. Bonds5

About 3-(cyclohexylmethylamino)-1-propylpyrazin-2-one

3-(cyclohexylmethylamino)-1-propylpyrazin-2-one (PubChem CID 55156798) has the molecular formula C14H23N3O and a molecular weight of 249.36 g/mol. Its IUPAC name is 3-(cyclohexylmethylamino)-1-propylpyrazin-2-one.

Molecular Properties

Compound Name3-(cyclohexylmethylamino)-1-propylpyrazin-2-one
PubChem CID55156798
Molecular FormulaC14H23N3O
Molecular Weight249.36 g/mol
Exact Mass249.18
IUPAC Name3-(cyclohexylmethylamino)-1-propylpyrazin-2-one
SMILESCCCn1ccnc(NCC2CCCCC2)c1=O
InChIInChI=1S/C14H23N3O/c1-2-9-17-10-8-15-13(14(17)18)16-11-12-6-4-3-5-7-12/h8,10,12H,2-7,9,11H2,1H3,(H,15,16)
InChIKeyJNNLQSLWFMSVDQ-UHFFFAOYSA-N
XLogP2.65
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(cyclohexylmethylamino)-1-propylpyrazin-2-one?
The IUPAC name of 3-(cyclohexylmethylamino)-1-propylpyrazin-2-one (CID 55156798) is 3-(cyclohexylmethylamino)-1-propylpyrazin-2-one.
What is the SMILES notation for 3-(cyclohexylmethylamino)-1-propylpyrazin-2-one?
The canonical SMILES for 3-(cyclohexylmethylamino)-1-propylpyrazin-2-one is CCCn1ccnc(NCC2CCCCC2)c1=O.
What is the InChIKey of 3-(cyclohexylmethylamino)-1-propylpyrazin-2-one?
The InChIKey is JNNLQSLWFMSVDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O/c1-2-9-17-10-8-15-13(14(17)18)16-11-12-6-4-3-5-7-12/h8,10,12H,2-7,9,11H2,1H3,(H,15,16).
What are the key properties of 3-(cyclohexylmethylamino)-1-propylpyrazin-2-one?
3-(cyclohexylmethylamino)-1-propylpyrazin-2-one has a molecular weight of 249.36 g/mol, XLogP of 2.65, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclohexylmethylamino)-1-propylpyrazin-2-one is sourced from PubChem (CID 55156798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).