2-(benzotriazol-1-yl)-1-[4-(dimethylamino)phenyl]ethanone

C16H16N4O — CID 15959247

IUPAC2-(benzotriazol-1-yl)-1-[4-(dimethylamino)phenyl]ethanone
SMILESCN(C)c1ccc(C(=O)Cn2nnc3ccccc32)cc1
InChIInChI=1S/C16H16N4O/c1-19(2)13-9-7-12(8-10-13)16(21)11-20-15-6-4-3-5-14(15)17-18-20/h3-10H,11H2,1-2H3
InChIKeyARWVNIIKICSUOA-UHFFFAOYSA-N
MW280.33 g/mol
LogP2.38
Rot. Bonds4

About 2-(benzotriazol-1-yl)-1-[4-(dimethylamino)phenyl]ethanone

2-(benzotriazol-1-yl)-1-[4-(dimethylamino)phenyl]ethanone (PubChem CID 15959247) has the molecular formula C16H16N4O and a molecular weight of 280.33 g/mol. Its IUPAC name is 2-(benzotriazol-1-yl)-1-[4-(dimethylamino)phenyl]ethanone.

Molecular Properties

Compound Name2-(benzotriazol-1-yl)-1-[4-(dimethylamino)phenyl]ethanone
PubChem CID15959247
Molecular FormulaC16H16N4O
Molecular Weight280.33 g/mol
Exact Mass280.13
IUPAC Name2-(benzotriazol-1-yl)-1-[4-(dimethylamino)phenyl]ethanone
SMILESCN(C)c1ccc(C(=O)Cn2nnc3ccccc32)cc1
InChIInChI=1S/C16H16N4O/c1-19(2)13-9-7-12(8-10-13)16(21)11-20-15-6-4-3-5-14(15)17-18-20/h3-10H,11H2,1-2H3
InChIKeyARWVNIIKICSUOA-UHFFFAOYSA-N
XLogP2.38
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(benzotriazol-1-yl)-1-[4-(dimethylamino)phenyl]ethanone?
The IUPAC name of 2-(benzotriazol-1-yl)-1-[4-(dimethylamino)phenyl]ethanone (CID 15959247) is 2-(benzotriazol-1-yl)-1-[4-(dimethylamino)phenyl]ethanone.
What is the SMILES notation for 2-(benzotriazol-1-yl)-1-[4-(dimethylamino)phenyl]ethanone?
The canonical SMILES for 2-(benzotriazol-1-yl)-1-[4-(dimethylamino)phenyl]ethanone is CN(C)c1ccc(C(=O)Cn2nnc3ccccc32)cc1.
What is the InChIKey of 2-(benzotriazol-1-yl)-1-[4-(dimethylamino)phenyl]ethanone?
The InChIKey is ARWVNIIKICSUOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O/c1-19(2)13-9-7-12(8-10-13)16(21)11-20-15-6-4-3-5-14(15)17-18-20/h3-10H,11H2,1-2H3.
What are the key properties of 2-(benzotriazol-1-yl)-1-[4-(dimethylamino)phenyl]ethanone?
2-(benzotriazol-1-yl)-1-[4-(dimethylamino)phenyl]ethanone has a molecular weight of 280.33 g/mol, XLogP of 2.38, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzotriazol-1-yl)-1-[4-(dimethylamino)phenyl]ethanone is sourced from PubChem (CID 15959247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).