benzotriazol-1-yl(morpholin-4-yl)methanone

C11H12N4O2 — CID 735660

IUPACbenzotriazol-1-yl(morpholin-4-yl)methanone
SMILESO=C(N1CCOCC1)n1nnc2ccccc21
InChIInChI=1S/C11H12N4O2/c16-11(14-5-7-17-8-6-14)15-10-4-2-1-3-9(10)12-13-15/h1-4H,5-8H2
InChIKeyPBCRZPKNXYHOCP-UHFFFAOYSA-N
MW232.24 g/mol
LogP0.73
Rot. Bonds

About benzotriazol-1-yl(morpholin-4-yl)methanone

benzotriazol-1-yl(morpholin-4-yl)methanone (PubChem CID 735660) has the molecular formula C11H12N4O2 and a molecular weight of 232.24 g/mol. Its IUPAC name is benzotriazol-1-yl(morpholin-4-yl)methanone.

Molecular Properties

Compound Namebenzotriazol-1-yl(morpholin-4-yl)methanone
PubChem CID735660
Molecular FormulaC11H12N4O2
Molecular Weight232.24 g/mol
Exact Mass232.10
IUPAC Namebenzotriazol-1-yl(morpholin-4-yl)methanone
SMILESO=C(N1CCOCC1)n1nnc2ccccc21
InChIInChI=1S/C11H12N4O2/c16-11(14-5-7-17-8-6-14)15-10-4-2-1-3-9(10)12-13-15/h1-4H,5-8H2
InChIKeyPBCRZPKNXYHOCP-UHFFFAOYSA-N
XLogP0.73
TPSA60.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.24
LogP ≤ 50.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of benzotriazol-1-yl(morpholin-4-yl)methanone?
The IUPAC name of benzotriazol-1-yl(morpholin-4-yl)methanone (CID 735660) is benzotriazol-1-yl(morpholin-4-yl)methanone.
What is the SMILES notation for benzotriazol-1-yl(morpholin-4-yl)methanone?
The canonical SMILES for benzotriazol-1-yl(morpholin-4-yl)methanone is O=C(N1CCOCC1)n1nnc2ccccc21.
What is the InChIKey of benzotriazol-1-yl(morpholin-4-yl)methanone?
The InChIKey is PBCRZPKNXYHOCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4O2/c16-11(14-5-7-17-8-6-14)15-10-4-2-1-3-9(10)12-13-15/h1-4H,5-8H2.
What are the key properties of benzotriazol-1-yl(morpholin-4-yl)methanone?
benzotriazol-1-yl(morpholin-4-yl)methanone has a molecular weight of 232.24 g/mol, XLogP of 0.73, 0 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for benzotriazol-1-yl(morpholin-4-yl)methanone is sourced from PubChem (CID 735660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).