1-ethyl-3-[(3-hydroxycyclohexyl)methylamino]pyrazin-2-one

C13H21N3O2 — CID 113349523

IUPAC1-ethyl-3-[(3-hydroxycyclohexyl)methylamino]pyrazin-2-one
SMILESCCn1ccnc(NCC2CCCC(O)C2)c1=O
InChIInChI=1S/C13H21N3O2/c1-2-16-7-6-14-12(13(16)18)15-9-10-4-3-5-11(17)8-10/h6-7,10-11,17H,2-5,8-9H2,1H3,(H,14,15)
InChIKeyJEKJAMVMODNXKK-UHFFFAOYSA-N
MW251.33 g/mol
LogP1.23
Rot. Bonds4

About 1-ethyl-3-[(3-hydroxycyclohexyl)methylamino]pyrazin-2-one

1-ethyl-3-[(3-hydroxycyclohexyl)methylamino]pyrazin-2-one (PubChem CID 113349523) has the molecular formula C13H21N3O2 and a molecular weight of 251.33 g/mol. Its IUPAC name is 1-ethyl-3-[(3-hydroxycyclohexyl)methylamino]pyrazin-2-one.

Molecular Properties

Compound Name1-ethyl-3-[(3-hydroxycyclohexyl)methylamino]pyrazin-2-one
PubChem CID113349523
Molecular FormulaC13H21N3O2
Molecular Weight251.33 g/mol
Exact Mass251.16
IUPAC Name1-ethyl-3-[(3-hydroxycyclohexyl)methylamino]pyrazin-2-one
SMILESCCn1ccnc(NCC2CCCC(O)C2)c1=O
InChIInChI=1S/C13H21N3O2/c1-2-16-7-6-14-12(13(16)18)15-9-10-4-3-5-11(17)8-10/h6-7,10-11,17H,2-5,8-9H2,1H3,(H,14,15)
InChIKeyJEKJAMVMODNXKK-UHFFFAOYSA-N
XLogP1.23
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(3-hydroxycyclohexyl)methylamino]-1-propylpyrazin-2-one
CID 106129389
1-cyclopropyl-3-[(3-hydroxycyclohexyl)methylamino]pyrazin-2-one
CID 103931018
1-ethyl-3-[(1-ethylpyrrolidin-3-yl)methylamino]pyrazin-2-one
CID 62938803
1-tert-butyl-3-[(3-hydroxycyclopentyl)methylamino]pyrazin-2-one
CID 106127875
1-ethyl-3-[[(6S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methylamino]pyrazin-2-one
CID 129474522
3-[(pyrazolo[1,5-a]pyrazin-4-ylamino)methyl]cyclohexan-1-ol
CID 106129764
5-chloro-4-[(3-hydroxycyclohexyl)methylamino]-1H-pyrimidin-6-one
CID 136823134
3-(cyclopropylmethylamino)-1-(2-methylpropyl)pyrazin-2-one
CID 62938956
2-[(3-hydroxycyclohexyl)methylamino]-4-methylpyridine-3-carboxylic acid
CID 114148584
3-(cyclohexylmethylamino)-1-methylpyrazin-2-one
CID 62939564
1-ethyl-3-[(3-methylsulfanylcyclohexyl)amino]pyrazin-2-one
CID 113349521
3-(2,2-difluoroethylamino)-1-ethylpyrazin-2-one
CID 115407571

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-[(3-hydroxycyclohexyl)methylamino]pyrazin-2-one?
The IUPAC name of 1-ethyl-3-[(3-hydroxycyclohexyl)methylamino]pyrazin-2-one (CID 113349523) is 1-ethyl-3-[(3-hydroxycyclohexyl)methylamino]pyrazin-2-one.
What is the SMILES notation for 1-ethyl-3-[(3-hydroxycyclohexyl)methylamino]pyrazin-2-one?
The canonical SMILES for 1-ethyl-3-[(3-hydroxycyclohexyl)methylamino]pyrazin-2-one is CCn1ccnc(NCC2CCCC(O)C2)c1=O.
What is the InChIKey of 1-ethyl-3-[(3-hydroxycyclohexyl)methylamino]pyrazin-2-one?
The InChIKey is JEKJAMVMODNXKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O2/c1-2-16-7-6-14-12(13(16)18)15-9-10-4-3-5-11(17)8-10/h6-7,10-11,17H,2-5,8-9H2,1H3,(H,14,15).
What are the key properties of 1-ethyl-3-[(3-hydroxycyclohexyl)methylamino]pyrazin-2-one?
1-ethyl-3-[(3-hydroxycyclohexyl)methylamino]pyrazin-2-one has a molecular weight of 251.33 g/mol, XLogP of 1.23, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-[(3-hydroxycyclohexyl)methylamino]pyrazin-2-one is sourced from PubChem (CID 113349523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).