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

C15H14N4O — CID 15959246

IUPAC2-(benzotriazol-1-yl)-1-[4-(methylamino)phenyl]ethanone
SMILESCNc1ccc(C(=O)Cn2nnc3ccccc32)cc1
InChIInChI=1S/C15H14N4O/c1-16-12-8-6-11(7-9-12)15(20)10-19-14-5-3-2-4-13(14)17-18-19/h2-9,16H,10H2,1H3
InChIKeyVMXNOKTVCNUECJ-UHFFFAOYSA-N
MW266.30 g/mol
LogP2.36
Rot. Bonds4

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

2-(benzotriazol-1-yl)-1-[4-(methylamino)phenyl]ethanone (PubChem CID 15959246) has the molecular formula C15H14N4O and a molecular weight of 266.30 g/mol. Its IUPAC name is 2-(benzotriazol-1-yl)-1-[4-(methylamino)phenyl]ethanone.

Molecular Properties

Compound Name2-(benzotriazol-1-yl)-1-[4-(methylamino)phenyl]ethanone
PubChem CID15959246
Molecular FormulaC15H14N4O
Molecular Weight266.30 g/mol
Exact Mass266.12
IUPAC Name2-(benzotriazol-1-yl)-1-[4-(methylamino)phenyl]ethanone
SMILESCNc1ccc(C(=O)Cn2nnc3ccccc32)cc1
InChIInChI=1S/C15H14N4O/c1-16-12-8-6-11(7-9-12)15(20)10-19-14-5-3-2-4-13(14)17-18-19/h2-9,16H,10H2,1H3
InChIKeyVMXNOKTVCNUECJ-UHFFFAOYSA-N
XLogP2.36
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(benzotriazol-1-yl)-1-[4-(methylamino)phenyl]ethanone?
The IUPAC name of 2-(benzotriazol-1-yl)-1-[4-(methylamino)phenyl]ethanone (CID 15959246) is 2-(benzotriazol-1-yl)-1-[4-(methylamino)phenyl]ethanone.
What is the SMILES notation for 2-(benzotriazol-1-yl)-1-[4-(methylamino)phenyl]ethanone?
The canonical SMILES for 2-(benzotriazol-1-yl)-1-[4-(methylamino)phenyl]ethanone is CNc1ccc(C(=O)Cn2nnc3ccccc32)cc1.
What is the InChIKey of 2-(benzotriazol-1-yl)-1-[4-(methylamino)phenyl]ethanone?
The InChIKey is VMXNOKTVCNUECJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4O/c1-16-12-8-6-11(7-9-12)15(20)10-19-14-5-3-2-4-13(14)17-18-19/h2-9,16H,10H2,1H3.
What are the key properties of 2-(benzotriazol-1-yl)-1-[4-(methylamino)phenyl]ethanone?
2-(benzotriazol-1-yl)-1-[4-(methylamino)phenyl]ethanone has a molecular weight of 266.30 g/mol, XLogP of 2.36, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzotriazol-1-yl)-1-[4-(methylamino)phenyl]ethanone is sourced from PubChem (CID 15959246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).