(2,6-dimethylmorpholin-4-yl)-(1-ethylbenzotriazol-5-yl)methanone

C15H20N4O2 — CID 18108361

IUPAC(2,6-dimethylmorpholin-4-yl)-(1-ethylbenzotriazol-5-yl)methanone
SMILESCCn1nnc2cc(C(=O)N3CC(C)OC(C)C3)ccc21
InChIInChI=1S/C15H20N4O2/c1-4-19-14-6-5-12(7-13(14)16-17-19)15(20)18-8-10(2)21-11(3)9-18/h5-7,10-11H,4,8-9H2,1-3H3
InChIKeyXKMJZOQAOYCFCA-UHFFFAOYSA-N
MW288.35 g/mol
LogP1.70
Rot. Bonds2

About (2,6-dimethylmorpholin-4-yl)-(1-ethylbenzotriazol-5-yl)methanone

(2,6-dimethylmorpholin-4-yl)-(1-ethylbenzotriazol-5-yl)methanone (PubChem CID 18108361) has the molecular formula C15H20N4O2 and a molecular weight of 288.35 g/mol. Its IUPAC name is (2,6-dimethylmorpholin-4-yl)-(1-ethylbenzotriazol-5-yl)methanone.

Molecular Properties

Compound Name(2,6-dimethylmorpholin-4-yl)-(1-ethylbenzotriazol-5-yl)methanone
PubChem CID18108361
Molecular FormulaC15H20N4O2
Molecular Weight288.35 g/mol
Exact Mass288.16
IUPAC Name(2,6-dimethylmorpholin-4-yl)-(1-ethylbenzotriazol-5-yl)methanone
SMILESCCn1nnc2cc(C(=O)N3CC(C)OC(C)C3)ccc21
InChIInChI=1S/C15H20N4O2/c1-4-19-14-6-5-12(7-13(14)16-17-19)15(20)18-8-10(2)21-11(3)9-18/h5-7,10-11H,4,8-9H2,1-3H3
InChIKeyXKMJZOQAOYCFCA-UHFFFAOYSA-N
XLogP1.70
TPSA60.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 51.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2,6-dimethylmorpholin-4-yl)-(1-ethylbenzotriazol-5-yl)methanone?
The IUPAC name of (2,6-dimethylmorpholin-4-yl)-(1-ethylbenzotriazol-5-yl)methanone (CID 18108361) is (2,6-dimethylmorpholin-4-yl)-(1-ethylbenzotriazol-5-yl)methanone.
What is the SMILES notation for (2,6-dimethylmorpholin-4-yl)-(1-ethylbenzotriazol-5-yl)methanone?
The canonical SMILES for (2,6-dimethylmorpholin-4-yl)-(1-ethylbenzotriazol-5-yl)methanone is CCn1nnc2cc(C(=O)N3CC(C)OC(C)C3)ccc21.
What is the InChIKey of (2,6-dimethylmorpholin-4-yl)-(1-ethylbenzotriazol-5-yl)methanone?
The InChIKey is XKMJZOQAOYCFCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O2/c1-4-19-14-6-5-12(7-13(14)16-17-19)15(20)18-8-10(2)21-11(3)9-18/h5-7,10-11H,4,8-9H2,1-3H3.
What are the key properties of (2,6-dimethylmorpholin-4-yl)-(1-ethylbenzotriazol-5-yl)methanone?
(2,6-dimethylmorpholin-4-yl)-(1-ethylbenzotriazol-5-yl)methanone has a molecular weight of 288.35 g/mol, XLogP of 1.70, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2,6-dimethylmorpholin-4-yl)-(1-ethylbenzotriazol-5-yl)methanone is sourced from PubChem (CID 18108361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).