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

C13H21N3O2 — CID 62927937

IUPAC1-ethyl-3-[[1-(hydroxymethyl)cyclohexyl]amino]pyrazin-2-one
SMILESCCn1ccnc(NC2(CO)CCCCC2)c1=O
InChIInChI=1S/C13H21N3O2/c1-2-16-9-8-14-11(12(16)18)15-13(10-17)6-4-3-5-7-13/h8-9,17H,2-7,10H2,1H3,(H,14,15)
InChIKeyIASCTQCBNQQQLY-UHFFFAOYSA-N
MW251.33 g/mol
LogP1.37
Rot. Bonds4

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

1-ethyl-3-[[1-(hydroxymethyl)cyclohexyl]amino]pyrazin-2-one (PubChem CID 62927937) has the molecular formula C13H21N3O2 and a molecular weight of 251.33 g/mol. Its IUPAC name is 1-ethyl-3-[[1-(hydroxymethyl)cyclohexyl]amino]pyrazin-2-one.

Molecular Properties

Compound Name1-ethyl-3-[[1-(hydroxymethyl)cyclohexyl]amino]pyrazin-2-one
PubChem CID62927937
Molecular FormulaC13H21N3O2
Molecular Weight251.33 g/mol
Exact Mass251.16
IUPAC Name1-ethyl-3-[[1-(hydroxymethyl)cyclohexyl]amino]pyrazin-2-one
SMILESCCn1ccnc(NC2(CO)CCCCC2)c1=O
InChIInChI=1S/C13H21N3O2/c1-2-16-9-8-14-11(12(16)18)15-13(10-17)6-4-3-5-7-13/h8-9,17H,2-7,10H2,1H3,(H,14,15)
InChIKeyIASCTQCBNQQQLY-UHFFFAOYSA-N
XLogP1.37
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 ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-[[1-(hydroxymethyl)cyclohexyl]amino]pyrazin-2-one?
The IUPAC name of 1-ethyl-3-[[1-(hydroxymethyl)cyclohexyl]amino]pyrazin-2-one (CID 62927937) is 1-ethyl-3-[[1-(hydroxymethyl)cyclohexyl]amino]pyrazin-2-one.
What is the SMILES notation for 1-ethyl-3-[[1-(hydroxymethyl)cyclohexyl]amino]pyrazin-2-one?
The canonical SMILES for 1-ethyl-3-[[1-(hydroxymethyl)cyclohexyl]amino]pyrazin-2-one is CCn1ccnc(NC2(CO)CCCCC2)c1=O.
What is the InChIKey of 1-ethyl-3-[[1-(hydroxymethyl)cyclohexyl]amino]pyrazin-2-one?
The InChIKey is IASCTQCBNQQQLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O2/c1-2-16-9-8-14-11(12(16)18)15-13(10-17)6-4-3-5-7-13/h8-9,17H,2-7,10H2,1H3,(H,14,15).
What are the key properties of 1-ethyl-3-[[1-(hydroxymethyl)cyclohexyl]amino]pyrazin-2-one?
1-ethyl-3-[[1-(hydroxymethyl)cyclohexyl]amino]pyrazin-2-one has a molecular weight of 251.33 g/mol, XLogP of 1.37, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-[[1-(hydroxymethyl)cyclohexyl]amino]pyrazin-2-one is sourced from PubChem (CID 62927937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).