1-[2-[(3-methylcyclohexyl)amino]ethyl]pyrazin-2-one

C13H21N3O — CID 112753753

IUPAC1-[2-[(3-methylcyclohexyl)amino]ethyl]pyrazin-2-one
SMILESCC1CCCC(NCCn2ccncc2=O)C1
InChIInChI=1S/C13H21N3O/c1-11-3-2-4-12(9-11)15-6-8-16-7-5-14-10-13(16)17/h5,7,10-12,15H,2-4,6,8-9H2,1H3
InChIKeyNOIVUSIHQOZTPL-UHFFFAOYSA-N
MW235.33 g/mol
LogP1.41
Rot. Bonds4

About 1-[2-[(3-methylcyclohexyl)amino]ethyl]pyrazin-2-one

1-[2-[(3-methylcyclohexyl)amino]ethyl]pyrazin-2-one (PubChem CID 112753753) has the molecular formula C13H21N3O and a molecular weight of 235.33 g/mol. Its IUPAC name is 1-[2-[(3-methylcyclohexyl)amino]ethyl]pyrazin-2-one.

Molecular Properties

Compound Name1-[2-[(3-methylcyclohexyl)amino]ethyl]pyrazin-2-one
PubChem CID112753753
Molecular FormulaC13H21N3O
Molecular Weight235.33 g/mol
Exact Mass235.17
IUPAC Name1-[2-[(3-methylcyclohexyl)amino]ethyl]pyrazin-2-one
SMILESCC1CCCC(NCCn2ccncc2=O)C1
InChIInChI=1S/C13H21N3O/c1-11-3-2-4-12(9-11)15-6-8-16-7-5-14-10-13(16)17/h5,7,10-12,15H,2-4,6,8-9H2,1H3
InChIKeyNOIVUSIHQOZTPL-UHFFFAOYSA-N
XLogP1.41
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-Methylcyclohexyl)pyrazin-2-one
CID 58893261
Ethane;1-(4-methylcyclohexyl)pyrazin-2-one
CID 142881088
1-Ethyl-3-[(3-methylcyclohexyl)amino]pyrazin-2-one
CID 55156604
1-Methyl-4-[2-[(2-methylcyclohexyl)amino]ethyl]pyrazine-2,3-dione
CID 62927372
1-Methyl-4-[2-[(3-methylcyclohexyl)amino]ethyl]pyrazine-2,3-dione
CID 62927707
1-Methyl-4-[2-[(4-methylcyclohexyl)amino]ethyl]pyrazine-2,3-dione
CID 62927879
3-[(3-Methylcyclohexyl)amino]-1-propan-2-ylpyrazin-2-one
CID 62938442
3-[(3-Methylcyclohexyl)amino]-1-propylpyrazin-2-one
CID 62938620
3-[(3-Methylcyclohexyl)amino]-1-(2-methylpropyl)pyrazin-2-one
CID 62938621
1-Tert-butyl-3-[(3-methylcyclohexyl)amino]pyrazin-2-one
CID 62938622
3-[(3-Ethylcyclohexyl)amino]-1-propylpyrazin-2-one
CID 64741093
1-Ethyl-3-[(3-ethylcyclohexyl)amino]pyrazin-2-one
CID 64742426

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(3-methylcyclohexyl)amino]ethyl]pyrazin-2-one?
The IUPAC name of 1-[2-[(3-methylcyclohexyl)amino]ethyl]pyrazin-2-one (CID 112753753) is 1-[2-[(3-methylcyclohexyl)amino]ethyl]pyrazin-2-one.
What is the SMILES notation for 1-[2-[(3-methylcyclohexyl)amino]ethyl]pyrazin-2-one?
The canonical SMILES for 1-[2-[(3-methylcyclohexyl)amino]ethyl]pyrazin-2-one is CC1CCCC(NCCn2ccncc2=O)C1.
What is the InChIKey of 1-[2-[(3-methylcyclohexyl)amino]ethyl]pyrazin-2-one?
The InChIKey is NOIVUSIHQOZTPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O/c1-11-3-2-4-12(9-11)15-6-8-16-7-5-14-10-13(16)17/h5,7,10-12,15H,2-4,6,8-9H2,1H3.
What are the key properties of 1-[2-[(3-methylcyclohexyl)amino]ethyl]pyrazin-2-one?
1-[2-[(3-methylcyclohexyl)amino]ethyl]pyrazin-2-one has a molecular weight of 235.33 g/mol, XLogP of 1.41, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(3-methylcyclohexyl)amino]ethyl]pyrazin-2-one is sourced from PubChem (CID 112753753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).