benzotriazol-1-yl-[4-(dimethylamino)phenyl]methanone

C15H14N4O — CID 694547

IUPACbenzotriazol-1-yl-[4-(dimethylamino)phenyl]methanone
SMILESCN(C)c1ccc(C(=O)n2nnc3ccccc32)cc1
InChIInChI=1S/C15H14N4O/c1-18(2)12-9-7-11(8-10-12)15(20)19-14-6-4-3-5-13(14)16-17-19/h3-10H,1-2H3
InChIKeyKDBJYASZCNEBLA-UHFFFAOYSA-N
MW266.30 g/mol
LogP2.19
Rot. Bonds2

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

benzotriazol-1-yl-[4-(dimethylamino)phenyl]methanone (PubChem CID 694547) has the molecular formula C15H14N4O and a molecular weight of 266.30 g/mol. Its IUPAC name is benzotriazol-1-yl-[4-(dimethylamino)phenyl]methanone.

Molecular Properties

Compound Namebenzotriazol-1-yl-[4-(dimethylamino)phenyl]methanone
PubChem CID694547
Molecular FormulaC15H14N4O
Molecular Weight266.30 g/mol
Exact Mass266.12
IUPAC Namebenzotriazol-1-yl-[4-(dimethylamino)phenyl]methanone
SMILESCN(C)c1ccc(C(=O)n2nnc3ccccc32)cc1
InChIInChI=1S/C15H14N4O/c1-18(2)12-9-7-11(8-10-12)15(20)19-14-6-4-3-5-13(14)16-17-19/h3-10H,1-2H3
InChIKeyKDBJYASZCNEBLA-UHFFFAOYSA-N
XLogP2.19
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of benzotriazol-1-yl-[4-(dimethylamino)phenyl]methanone?
The IUPAC name of benzotriazol-1-yl-[4-(dimethylamino)phenyl]methanone (CID 694547) is benzotriazol-1-yl-[4-(dimethylamino)phenyl]methanone.
What is the SMILES notation for benzotriazol-1-yl-[4-(dimethylamino)phenyl]methanone?
The canonical SMILES for benzotriazol-1-yl-[4-(dimethylamino)phenyl]methanone is CN(C)c1ccc(C(=O)n2nnc3ccccc32)cc1.
What is the InChIKey of benzotriazol-1-yl-[4-(dimethylamino)phenyl]methanone?
The InChIKey is KDBJYASZCNEBLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4O/c1-18(2)12-9-7-11(8-10-12)15(20)19-14-6-4-3-5-13(14)16-17-19/h3-10H,1-2H3.
What are the key properties of benzotriazol-1-yl-[4-(dimethylamino)phenyl]methanone?
benzotriazol-1-yl-[4-(dimethylamino)phenyl]methanone has a molecular weight of 266.30 g/mol, XLogP of 2.19, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for benzotriazol-1-yl-[4-(dimethylamino)phenyl]methanone is sourced from PubChem (CID 694547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).