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

C12H20N4O3 — CID 146088030

IUPAC2-[2-(3-ethyl-3-methylmorpholin-4-yl)-2-oxoethyl]-4-methyl-1,2,4-triazol-3-one
SMILESCCC1(C)COCCN1C(=O)Cn1ncn(C)c1=O
InChIInChI=1S/C12H20N4O3/c1-4-12(2)8-19-6-5-15(12)10(17)7-16-11(18)14(3)9-13-16/h9H,4-8H2,1-3H3
InChIKeyQPKXSEKGWOJVJM-UHFFFAOYSA-N
MW268.32 g/mol
LogP-0.39
Rot. Bonds3

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

2-[2-(3-ethyl-3-methylmorpholin-4-yl)-2-oxoethyl]-4-methyl-1,2,4-triazol-3-one (PubChem CID 146088030) has the molecular formula C12H20N4O3 and a molecular weight of 268.32 g/mol. Its IUPAC name is 2-[2-(3-ethyl-3-methylmorpholin-4-yl)-2-oxoethyl]-4-methyl-1,2,4-triazol-3-one.

Molecular Properties

Compound Name2-[2-(3-ethyl-3-methylmorpholin-4-yl)-2-oxoethyl]-4-methyl-1,2,4-triazol-3-one
PubChem CID146088030
Molecular FormulaC12H20N4O3
Molecular Weight268.32 g/mol
Exact Mass268.15
IUPAC Name2-[2-(3-ethyl-3-methylmorpholin-4-yl)-2-oxoethyl]-4-methyl-1,2,4-triazol-3-one
SMILESCCC1(C)COCCN1C(=O)Cn1ncn(C)c1=O
InChIInChI=1S/C12H20N4O3/c1-4-12(2)8-19-6-5-15(12)10(17)7-16-11(18)14(3)9-13-16/h9H,4-8H2,1-3H3
InChIKeyQPKXSEKGWOJVJM-UHFFFAOYSA-N
XLogP-0.39
TPSA69.36 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 5-0.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(3-ethyl-3-methylmorpholin-4-yl)-2-oxoethyl]-4-methyl-1,2,4-triazol-3-one?
The IUPAC name of 2-[2-(3-ethyl-3-methylmorpholin-4-yl)-2-oxoethyl]-4-methyl-1,2,4-triazol-3-one (CID 146088030) is 2-[2-(3-ethyl-3-methylmorpholin-4-yl)-2-oxoethyl]-4-methyl-1,2,4-triazol-3-one.
What is the SMILES notation for 2-[2-(3-ethyl-3-methylmorpholin-4-yl)-2-oxoethyl]-4-methyl-1,2,4-triazol-3-one?
The canonical SMILES for 2-[2-(3-ethyl-3-methylmorpholin-4-yl)-2-oxoethyl]-4-methyl-1,2,4-triazol-3-one is CCC1(C)COCCN1C(=O)Cn1ncn(C)c1=O.
What is the InChIKey of 2-[2-(3-ethyl-3-methylmorpholin-4-yl)-2-oxoethyl]-4-methyl-1,2,4-triazol-3-one?
The InChIKey is QPKXSEKGWOJVJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O3/c1-4-12(2)8-19-6-5-15(12)10(17)7-16-11(18)14(3)9-13-16/h9H,4-8H2,1-3H3.
What are the key properties of 2-[2-(3-ethyl-3-methylmorpholin-4-yl)-2-oxoethyl]-4-methyl-1,2,4-triazol-3-one?
2-[2-(3-ethyl-3-methylmorpholin-4-yl)-2-oxoethyl]-4-methyl-1,2,4-triazol-3-one has a molecular weight of 268.32 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-(3-ethyl-3-methylmorpholin-4-yl)-2-oxoethyl]-4-methyl-1,2,4-triazol-3-one is sourced from PubChem (CID 146088030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).