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

C18H20N4O — CID 15959243

IUPAC2-(benzotriazol-1-yl)-1-[4-(diethylamino)phenyl]ethanone
SMILESCCN(CC)c1ccc(C(=O)Cn2nnc3ccccc32)cc1
InChIInChI=1S/C18H20N4O/c1-3-21(4-2)15-11-9-14(10-12-15)18(23)13-22-17-8-6-5-7-16(17)19-20-22/h5-12H,3-4,13H2,1-2H3
InChIKeyWRMOHNVAGALKPX-UHFFFAOYSA-N
MW308.39 g/mol
LogP3.16
Rot. Bonds6

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

2-(benzotriazol-1-yl)-1-[4-(diethylamino)phenyl]ethanone (PubChem CID 15959243) has the molecular formula C18H20N4O and a molecular weight of 308.39 g/mol. Its IUPAC name is 2-(benzotriazol-1-yl)-1-[4-(diethylamino)phenyl]ethanone.

Molecular Properties

Compound Name2-(benzotriazol-1-yl)-1-[4-(diethylamino)phenyl]ethanone
PubChem CID15959243
Molecular FormulaC18H20N4O
Molecular Weight308.39 g/mol
Exact Mass308.16
IUPAC Name2-(benzotriazol-1-yl)-1-[4-(diethylamino)phenyl]ethanone
SMILESCCN(CC)c1ccc(C(=O)Cn2nnc3ccccc32)cc1
InChIInChI=1S/C18H20N4O/c1-3-21(4-2)15-11-9-14(10-12-15)18(23)13-22-17-8-6-5-7-16(17)19-20-22/h5-12H,3-4,13H2,1-2H3
InChIKeyWRMOHNVAGALKPX-UHFFFAOYSA-N
XLogP3.16
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.39
LogP ≤ 53.16
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-(diethylamino)phenyl]ethanone?
The IUPAC name of 2-(benzotriazol-1-yl)-1-[4-(diethylamino)phenyl]ethanone (CID 15959243) is 2-(benzotriazol-1-yl)-1-[4-(diethylamino)phenyl]ethanone.
What is the SMILES notation for 2-(benzotriazol-1-yl)-1-[4-(diethylamino)phenyl]ethanone?
The canonical SMILES for 2-(benzotriazol-1-yl)-1-[4-(diethylamino)phenyl]ethanone is CCN(CC)c1ccc(C(=O)Cn2nnc3ccccc32)cc1.
What is the InChIKey of 2-(benzotriazol-1-yl)-1-[4-(diethylamino)phenyl]ethanone?
The InChIKey is WRMOHNVAGALKPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O/c1-3-21(4-2)15-11-9-14(10-12-15)18(23)13-22-17-8-6-5-7-16(17)19-20-22/h5-12H,3-4,13H2,1-2H3.
What are the key properties of 2-(benzotriazol-1-yl)-1-[4-(diethylamino)phenyl]ethanone?
2-(benzotriazol-1-yl)-1-[4-(diethylamino)phenyl]ethanone has a molecular weight of 308.39 g/mol, XLogP of 3.16, 6 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-(diethylamino)phenyl]ethanone is sourced from PubChem (CID 15959243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).