1-(3-cyclopropylbenzotriazol-5-yl)ethanone

C11H11N3O — CID 83880884

IUPAC1-(3-cyclopropylbenzotriazol-5-yl)ethanone
SMILESCC(=O)c1ccc2nnn(C3CC3)c2c1
InChIInChI=1S/C11H11N3O/c1-7(15)8-2-5-10-11(6-8)14(13-12-10)9-3-4-9/h2,5-6,9H,3-4H2,1H3
InChIKeyQHFJMZSSNAFJDV-UHFFFAOYSA-N
MW201.23 g/mol
LogP1.97
Rot. Bonds2

About 1-(3-cyclopropylbenzotriazol-5-yl)ethanone

1-(3-cyclopropylbenzotriazol-5-yl)ethanone (PubChem CID 83880884) has the molecular formula C11H11N3O and a molecular weight of 201.23 g/mol. Its IUPAC name is 1-(3-cyclopropylbenzotriazol-5-yl)ethanone.

Molecular Properties

Compound Name1-(3-cyclopropylbenzotriazol-5-yl)ethanone
PubChem CID83880884
Molecular FormulaC11H11N3O
Molecular Weight201.23 g/mol
Exact Mass201.09
IUPAC Name1-(3-cyclopropylbenzotriazol-5-yl)ethanone
SMILESCC(=O)c1ccc2nnn(C3CC3)c2c1
InChIInChI=1S/C11H11N3O/c1-7(15)8-2-5-10-11(6-8)14(13-12-10)9-3-4-9/h2,5-6,9H,3-4H2,1H3
InChIKeyQHFJMZSSNAFJDV-UHFFFAOYSA-N
XLogP1.97
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.23
LogP ≤ 51.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(3-cyclopropylbenzotriazol-5-yl)ethanone?
The IUPAC name of 1-(3-cyclopropylbenzotriazol-5-yl)ethanone (CID 83880884) is 1-(3-cyclopropylbenzotriazol-5-yl)ethanone.
What is the SMILES notation for 1-(3-cyclopropylbenzotriazol-5-yl)ethanone?
The canonical SMILES for 1-(3-cyclopropylbenzotriazol-5-yl)ethanone is CC(=O)c1ccc2nnn(C3CC3)c2c1.
What is the InChIKey of 1-(3-cyclopropylbenzotriazol-5-yl)ethanone?
The InChIKey is QHFJMZSSNAFJDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3O/c1-7(15)8-2-5-10-11(6-8)14(13-12-10)9-3-4-9/h2,5-6,9H,3-4H2,1H3.
What are the key properties of 1-(3-cyclopropylbenzotriazol-5-yl)ethanone?
1-(3-cyclopropylbenzotriazol-5-yl)ethanone has a molecular weight of 201.23 g/mol, XLogP of 1.97, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-cyclopropylbenzotriazol-5-yl)ethanone is sourced from PubChem (CID 83880884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).