(1-ethylbenzotriazol-5-yl)-morpholin-4-ylmethanone

C13H16N4O2 — CID 26583458

IUPAC(1-ethylbenzotriazol-5-yl)-morpholin-4-ylmethanone
SMILESCCn1nnc2cc(C(=O)N3CCOCC3)ccc21
InChIInChI=1S/C13H16N4O2/c1-2-17-12-4-3-10(9-11(12)14-15-17)13(18)16-5-7-19-8-6-16/h3-4,9H,2,5-8H2,1H3
InChIKeyPDNLHYPHXLKSBN-UHFFFAOYSA-N
MW260.30 g/mol
LogP0.92
Rot. Bonds2

About (1-ethylbenzotriazol-5-yl)-morpholin-4-ylmethanone

(1-ethylbenzotriazol-5-yl)-morpholin-4-ylmethanone (PubChem CID 26583458) has the molecular formula C13H16N4O2 and a molecular weight of 260.30 g/mol. Its IUPAC name is (1-ethylbenzotriazol-5-yl)-morpholin-4-ylmethanone.

Molecular Properties

Compound Name(1-ethylbenzotriazol-5-yl)-morpholin-4-ylmethanone
PubChem CID26583458
Molecular FormulaC13H16N4O2
Molecular Weight260.30 g/mol
Exact Mass260.13
IUPAC Name(1-ethylbenzotriazol-5-yl)-morpholin-4-ylmethanone
SMILESCCn1nnc2cc(C(=O)N3CCOCC3)ccc21
InChIInChI=1S/C13H16N4O2/c1-2-17-12-4-3-10(9-11(12)14-15-17)13(18)16-5-7-19-8-6-16/h3-4,9H,2,5-8H2,1H3
InChIKeyPDNLHYPHXLKSBN-UHFFFAOYSA-N
XLogP0.92
TPSA60.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.30
LogP ≤ 50.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (1-ethylbenzotriazol-5-yl)-morpholin-4-ylmethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (1-ethylbenzotriazol-5-yl)-morpholin-4-ylmethanone?
The IUPAC name of (1-ethylbenzotriazol-5-yl)-morpholin-4-ylmethanone (CID 26583458) is (1-ethylbenzotriazol-5-yl)-morpholin-4-ylmethanone.
What is the SMILES notation for (1-ethylbenzotriazol-5-yl)-morpholin-4-ylmethanone?
The canonical SMILES for (1-ethylbenzotriazol-5-yl)-morpholin-4-ylmethanone is CCn1nnc2cc(C(=O)N3CCOCC3)ccc21.
What is the InChIKey of (1-ethylbenzotriazol-5-yl)-morpholin-4-ylmethanone?
The InChIKey is PDNLHYPHXLKSBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O2/c1-2-17-12-4-3-10(9-11(12)14-15-17)13(18)16-5-7-19-8-6-16/h3-4,9H,2,5-8H2,1H3.
What are the key properties of (1-ethylbenzotriazol-5-yl)-morpholin-4-ylmethanone?
(1-ethylbenzotriazol-5-yl)-morpholin-4-ylmethanone has a molecular weight of 260.30 g/mol, XLogP of 0.92, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1-ethylbenzotriazol-5-yl)-morpholin-4-ylmethanone is sourced from PubChem (CID 26583458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).