3-[[1-(hydroxymethyl)cyclohexyl]amino]-1-propan-2-ylpyrazin-2-one

C14H23N3O2 — CID 55156038

IUPAC3-[[1-(hydroxymethyl)cyclohexyl]amino]-1-propan-2-ylpyrazin-2-one
SMILESCC(C)n1ccnc(NC2(CO)CCCCC2)c1=O
InChIInChI=1S/C14H23N3O2/c1-11(2)17-9-8-15-12(13(17)19)16-14(10-18)6-4-3-5-7-14/h8-9,11,18H,3-7,10H2,1-2H3,(H,15,16)
InChIKeyVYOQHAGGBMMDOD-UHFFFAOYSA-N
MW265.36 g/mol
LogP1.93
Rot. Bonds4

About 3-[[1-(hydroxymethyl)cyclohexyl]amino]-1-propan-2-ylpyrazin-2-one

3-[[1-(hydroxymethyl)cyclohexyl]amino]-1-propan-2-ylpyrazin-2-one (PubChem CID 55156038) has the molecular formula C14H23N3O2 and a molecular weight of 265.36 g/mol. Its IUPAC name is 3-[[1-(hydroxymethyl)cyclohexyl]amino]-1-propan-2-ylpyrazin-2-one.

Molecular Properties

Compound Name3-[[1-(hydroxymethyl)cyclohexyl]amino]-1-propan-2-ylpyrazin-2-one
PubChem CID55156038
Molecular FormulaC14H23N3O2
Molecular Weight265.36 g/mol
Exact Mass265.18
IUPAC Name3-[[1-(hydroxymethyl)cyclohexyl]amino]-1-propan-2-ylpyrazin-2-one
SMILESCC(C)n1ccnc(NC2(CO)CCCCC2)c1=O
InChIInChI=1S/C14H23N3O2/c1-11(2)17-9-8-15-12(13(17)19)16-14(10-18)6-4-3-5-7-14/h8-9,11,18H,3-7,10H2,1-2H3,(H,15,16)
InChIKeyVYOQHAGGBMMDOD-UHFFFAOYSA-N
XLogP1.93
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[[1-(hydroxymethyl)cyclohexyl]amino]-1-propan-2-ylpyrazin-2-one?
The IUPAC name of 3-[[1-(hydroxymethyl)cyclohexyl]amino]-1-propan-2-ylpyrazin-2-one (CID 55156038) is 3-[[1-(hydroxymethyl)cyclohexyl]amino]-1-propan-2-ylpyrazin-2-one.
What is the SMILES notation for 3-[[1-(hydroxymethyl)cyclohexyl]amino]-1-propan-2-ylpyrazin-2-one?
The canonical SMILES for 3-[[1-(hydroxymethyl)cyclohexyl]amino]-1-propan-2-ylpyrazin-2-one is CC(C)n1ccnc(NC2(CO)CCCCC2)c1=O.
What is the InChIKey of 3-[[1-(hydroxymethyl)cyclohexyl]amino]-1-propan-2-ylpyrazin-2-one?
The InChIKey is VYOQHAGGBMMDOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2/c1-11(2)17-9-8-15-12(13(17)19)16-14(10-18)6-4-3-5-7-14/h8-9,11,18H,3-7,10H2,1-2H3,(H,15,16).
What are the key properties of 3-[[1-(hydroxymethyl)cyclohexyl]amino]-1-propan-2-ylpyrazin-2-one?
3-[[1-(hydroxymethyl)cyclohexyl]amino]-1-propan-2-ylpyrazin-2-one has a molecular weight of 265.36 g/mol, XLogP of 1.93, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[1-(hydroxymethyl)cyclohexyl]amino]-1-propan-2-ylpyrazin-2-one is sourced from PubChem (CID 55156038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).