2-[2-(2-cyclobutylmorpholin-4-yl)-2-oxoethyl]-4-methyl-1,2,4-triazol-3-one

C13H20N4O3 — CID 128716741

IUPAC2-[2-(2-cyclobutylmorpholin-4-yl)-2-oxoethyl]-4-methyl-1,2,4-triazol-3-one
SMILESCn1cnn(CC(=O)N2CCOC(C3CCC3)C2)c1=O
InChIInChI=1S/C13H20N4O3/c1-15-9-14-17(13(15)19)8-12(18)16-5-6-20-11(7-16)10-3-2-4-10/h9-11H,2-8H2,1H3
InChIKeyVSEWTKGQPZVUNH-UHFFFAOYSA-N
MW280.33 g/mol
LogP-0.39
Rot. Bonds3

About 2-[2-(2-cyclobutylmorpholin-4-yl)-2-oxoethyl]-4-methyl-1,2,4-triazol-3-one

2-[2-(2-cyclobutylmorpholin-4-yl)-2-oxoethyl]-4-methyl-1,2,4-triazol-3-one (PubChem CID 128716741) has the molecular formula C13H20N4O3 and a molecular weight of 280.33 g/mol. Its IUPAC name is 2-[2-(2-cyclobutylmorpholin-4-yl)-2-oxoethyl]-4-methyl-1,2,4-triazol-3-one.

Molecular Properties

Compound Name2-[2-(2-cyclobutylmorpholin-4-yl)-2-oxoethyl]-4-methyl-1,2,4-triazol-3-one
PubChem CID128716741
Molecular FormulaC13H20N4O3
Molecular Weight280.33 g/mol
Exact Mass280.15
IUPAC Name2-[2-(2-cyclobutylmorpholin-4-yl)-2-oxoethyl]-4-methyl-1,2,4-triazol-3-one
SMILESCn1cnn(CC(=O)N2CCOC(C3CCC3)C2)c1=O
InChIInChI=1S/C13H20N4O3/c1-15-9-14-17(13(15)19)8-12(18)16-5-6-20-11(7-16)10-3-2-4-10/h9-11H,2-8H2,1H3
InChIKeyVSEWTKGQPZVUNH-UHFFFAOYSA-N
XLogP-0.39
TPSA69.36 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 5-0.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

5-{[rel-(2R,6S)-2-butyl-6-isopropyl-4-morpholinyl]carbonyl}-2-methyl-2,4-dihydro-3H-1,2,4-triazol-3-one
CID 157013538

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-cyclobutylmorpholin-4-yl)-2-oxoethyl]-4-methyl-1,2,4-triazol-3-one?
The IUPAC name of 2-[2-(2-cyclobutylmorpholin-4-yl)-2-oxoethyl]-4-methyl-1,2,4-triazol-3-one (CID 128716741) is 2-[2-(2-cyclobutylmorpholin-4-yl)-2-oxoethyl]-4-methyl-1,2,4-triazol-3-one.
What is the SMILES notation for 2-[2-(2-cyclobutylmorpholin-4-yl)-2-oxoethyl]-4-methyl-1,2,4-triazol-3-one?
The canonical SMILES for 2-[2-(2-cyclobutylmorpholin-4-yl)-2-oxoethyl]-4-methyl-1,2,4-triazol-3-one is Cn1cnn(CC(=O)N2CCOC(C3CCC3)C2)c1=O.
What is the InChIKey of 2-[2-(2-cyclobutylmorpholin-4-yl)-2-oxoethyl]-4-methyl-1,2,4-triazol-3-one?
The InChIKey is VSEWTKGQPZVUNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O3/c1-15-9-14-17(13(15)19)8-12(18)16-5-6-20-11(7-16)10-3-2-4-10/h9-11H,2-8H2,1H3.
What are the key properties of 2-[2-(2-cyclobutylmorpholin-4-yl)-2-oxoethyl]-4-methyl-1,2,4-triazol-3-one?
2-[2-(2-cyclobutylmorpholin-4-yl)-2-oxoethyl]-4-methyl-1,2,4-triazol-3-one has a molecular weight of 280.33 g/mol, XLogP of -0.39, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-cyclobutylmorpholin-4-yl)-2-oxoethyl]-4-methyl-1,2,4-triazol-3-one is sourced from PubChem (CID 128716741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).