1-ethyl-3-[[1-(hydroxymethyl)-4-methylcyclohexyl]amino]pyrazin-2-one

C14H23N3O2 — CID 55156229

IUPAC1-ethyl-3-[[1-(hydroxymethyl)-4-methylcyclohexyl]amino]pyrazin-2-one
SMILESCCn1ccnc(NC2(CO)CCC(C)CC2)c1=O
InChIInChI=1S/C14H23N3O2/c1-3-17-9-8-15-12(13(17)19)16-14(10-18)6-4-11(2)5-7-14/h8-9,11,18H,3-7,10H2,1-2H3,(H,15,16)
InChIKeyUGJYUMOBNGVUQX-UHFFFAOYSA-N
MW265.36 g/mol
LogP1.62
Rot. Bonds4

About 1-ethyl-3-[[1-(hydroxymethyl)-4-methylcyclohexyl]amino]pyrazin-2-one

1-ethyl-3-[[1-(hydroxymethyl)-4-methylcyclohexyl]amino]pyrazin-2-one (PubChem CID 55156229) has the molecular formula C14H23N3O2 and a molecular weight of 265.36 g/mol. Its IUPAC name is 1-ethyl-3-[[1-(hydroxymethyl)-4-methylcyclohexyl]amino]pyrazin-2-one.

Molecular Properties

Compound Name1-ethyl-3-[[1-(hydroxymethyl)-4-methylcyclohexyl]amino]pyrazin-2-one
PubChem CID55156229
Molecular FormulaC14H23N3O2
Molecular Weight265.36 g/mol
Exact Mass265.18
IUPAC Name1-ethyl-3-[[1-(hydroxymethyl)-4-methylcyclohexyl]amino]pyrazin-2-one
SMILESCCn1ccnc(NC2(CO)CCC(C)CC2)c1=O
InChIInChI=1S/C14H23N3O2/c1-3-17-9-8-15-12(13(17)19)16-14(10-18)6-4-11(2)5-7-14/h8-9,11,18H,3-7,10H2,1-2H3,(H,15,16)
InChIKeyUGJYUMOBNGVUQX-UHFFFAOYSA-N
XLogP1.62
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 ≤ 51.62
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)-4-methylcyclohexyl]amino]pyrazin-2-one?
The IUPAC name of 1-ethyl-3-[[1-(hydroxymethyl)-4-methylcyclohexyl]amino]pyrazin-2-one (CID 55156229) is 1-ethyl-3-[[1-(hydroxymethyl)-4-methylcyclohexyl]amino]pyrazin-2-one.
What is the SMILES notation for 1-ethyl-3-[[1-(hydroxymethyl)-4-methylcyclohexyl]amino]pyrazin-2-one?
The canonical SMILES for 1-ethyl-3-[[1-(hydroxymethyl)-4-methylcyclohexyl]amino]pyrazin-2-one is CCn1ccnc(NC2(CO)CCC(C)CC2)c1=O.
What is the InChIKey of 1-ethyl-3-[[1-(hydroxymethyl)-4-methylcyclohexyl]amino]pyrazin-2-one?
The InChIKey is UGJYUMOBNGVUQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2/c1-3-17-9-8-15-12(13(17)19)16-14(10-18)6-4-11(2)5-7-14/h8-9,11,18H,3-7,10H2,1-2H3,(H,15,16).
What are the key properties of 1-ethyl-3-[[1-(hydroxymethyl)-4-methylcyclohexyl]amino]pyrazin-2-one?
1-ethyl-3-[[1-(hydroxymethyl)-4-methylcyclohexyl]amino]pyrazin-2-one has a molecular weight of 265.36 g/mol, XLogP of 1.62, 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)-4-methylcyclohexyl]amino]pyrazin-2-one is sourced from PubChem (CID 55156229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).