1-[2-(benzotriazol-1-ylmethylamino)phenyl]ethanone

C15H14N4O — CID 836203

IUPAC1-[2-(benzotriazol-1-ylmethylamino)phenyl]ethanone
SMILESCC(=O)c1ccccc1NCn1nnc2ccccc21
InChIInChI=1S/C15H14N4O/c1-11(20)12-6-2-3-7-13(12)16-10-19-15-9-5-4-8-14(15)17-18-19/h2-9,16H,10H2,1H3
InChIKeyBGNCZFPTFROFBC-UHFFFAOYSA-N
MW266.30 g/mol
LogP2.70
Rot. Bonds4

About 1-[2-(benzotriazol-1-ylmethylamino)phenyl]ethanone

1-[2-(benzotriazol-1-ylmethylamino)phenyl]ethanone (PubChem CID 836203) has the molecular formula C15H14N4O and a molecular weight of 266.30 g/mol. Its IUPAC name is 1-[2-(benzotriazol-1-ylmethylamino)phenyl]ethanone.

Molecular Properties

Compound Name1-[2-(benzotriazol-1-ylmethylamino)phenyl]ethanone
PubChem CID836203
Molecular FormulaC15H14N4O
Molecular Weight266.30 g/mol
Exact Mass266.12
IUPAC Name1-[2-(benzotriazol-1-ylmethylamino)phenyl]ethanone
SMILESCC(=O)c1ccccc1NCn1nnc2ccccc21
InChIInChI=1S/C15H14N4O/c1-11(20)12-6-2-3-7-13(12)16-10-19-15-9-5-4-8-14(15)17-18-19/h2-9,16H,10H2,1H3
InChIKeyBGNCZFPTFROFBC-UHFFFAOYSA-N
XLogP2.70
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 ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(benzotriazol-1-ylmethylamino)phenyl]ethanone?
The IUPAC name of 1-[2-(benzotriazol-1-ylmethylamino)phenyl]ethanone (CID 836203) is 1-[2-(benzotriazol-1-ylmethylamino)phenyl]ethanone.
What is the SMILES notation for 1-[2-(benzotriazol-1-ylmethylamino)phenyl]ethanone?
The canonical SMILES for 1-[2-(benzotriazol-1-ylmethylamino)phenyl]ethanone is CC(=O)c1ccccc1NCn1nnc2ccccc21.
What is the InChIKey of 1-[2-(benzotriazol-1-ylmethylamino)phenyl]ethanone?
The InChIKey is BGNCZFPTFROFBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4O/c1-11(20)12-6-2-3-7-13(12)16-10-19-15-9-5-4-8-14(15)17-18-19/h2-9,16H,10H2,1H3.
What are the key properties of 1-[2-(benzotriazol-1-ylmethylamino)phenyl]ethanone?
1-[2-(benzotriazol-1-ylmethylamino)phenyl]ethanone has a molecular weight of 266.30 g/mol, XLogP of 2.70, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(benzotriazol-1-ylmethylamino)phenyl]ethanone is sourced from PubChem (CID 836203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).