2-(benzotriazol-2-yl)-1-morpholin-4-ylethanone

C12H14N4O2 — CID 125492228

IUPAC2-(benzotriazol-2-yl)-1-morpholin-4-ylethanone
SMILESO=C(Cn1nc2ccccc2n1)N1CCOCC1
InChIInChI=1S/C12H14N4O2/c17-12(15-5-7-18-8-6-15)9-16-13-10-3-1-2-4-11(10)14-16/h1-4H,5-9H2
InChIKeyHEYUXNYCTBJXKU-UHFFFAOYSA-N
MW246.27 g/mol
LogP0.29
Rot. Bonds2

About 2-(benzotriazol-2-yl)-1-morpholin-4-ylethanone

2-(benzotriazol-2-yl)-1-morpholin-4-ylethanone (PubChem CID 125492228) has the molecular formula C12H14N4O2 and a molecular weight of 246.27 g/mol. Its IUPAC name is 2-(benzotriazol-2-yl)-1-morpholin-4-ylethanone.

Molecular Properties

Compound Name2-(benzotriazol-2-yl)-1-morpholin-4-ylethanone
PubChem CID125492228
Molecular FormulaC12H14N4O2
Molecular Weight246.27 g/mol
Exact Mass246.11
IUPAC Name2-(benzotriazol-2-yl)-1-morpholin-4-ylethanone
SMILESO=C(Cn1nc2ccccc2n1)N1CCOCC1
InChIInChI=1S/C12H14N4O2/c17-12(15-5-7-18-8-6-15)9-16-13-10-3-1-2-4-11(10)14-16/h1-4H,5-9H2
InChIKeyHEYUXNYCTBJXKU-UHFFFAOYSA-N
XLogP0.29
TPSA60.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.27
LogP ≤ 50.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(benzotriazol-2-yl)-1-morpholin-4-ylethanone?
The IUPAC name of 2-(benzotriazol-2-yl)-1-morpholin-4-ylethanone (CID 125492228) is 2-(benzotriazol-2-yl)-1-morpholin-4-ylethanone.
What is the SMILES notation for 2-(benzotriazol-2-yl)-1-morpholin-4-ylethanone?
The canonical SMILES for 2-(benzotriazol-2-yl)-1-morpholin-4-ylethanone is O=C(Cn1nc2ccccc2n1)N1CCOCC1.
What is the InChIKey of 2-(benzotriazol-2-yl)-1-morpholin-4-ylethanone?
The InChIKey is HEYUXNYCTBJXKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O2/c17-12(15-5-7-18-8-6-15)9-16-13-10-3-1-2-4-11(10)14-16/h1-4H,5-9H2.
What are the key properties of 2-(benzotriazol-2-yl)-1-morpholin-4-ylethanone?
2-(benzotriazol-2-yl)-1-morpholin-4-ylethanone has a molecular weight of 246.27 g/mol, XLogP of 0.29, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzotriazol-2-yl)-1-morpholin-4-ylethanone is sourced from PubChem (CID 125492228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).