benzotriazol-1-yl 4-(dimethylamino)benzoate

C15H14N4O2 — CID 15959236

IUPACbenzotriazol-1-yl 4-(dimethylamino)benzoate
SMILESCN(C)c1ccc(C(=O)On2nnc3ccccc32)cc1
InChIInChI=1S/C15H14N4O2/c1-18(2)12-9-7-11(8-10-12)15(20)21-19-14-6-4-3-5-13(14)16-17-19/h3-10H,1-2H3
InChIKeyUOITWBIZHQLMTH-UHFFFAOYSA-N
MW282.30 g/mol
LogP1.77
Rot. Bonds3

About benzotriazol-1-yl 4-(dimethylamino)benzoate

benzotriazol-1-yl 4-(dimethylamino)benzoate (PubChem CID 15959236) has the molecular formula C15H14N4O2 and a molecular weight of 282.30 g/mol. Its IUPAC name is benzotriazol-1-yl 4-(dimethylamino)benzoate.

Molecular Properties

Compound Namebenzotriazol-1-yl 4-(dimethylamino)benzoate
PubChem CID15959236
Molecular FormulaC15H14N4O2
Molecular Weight282.30 g/mol
Exact Mass282.11
IUPAC Namebenzotriazol-1-yl 4-(dimethylamino)benzoate
SMILESCN(C)c1ccc(C(=O)On2nnc3ccccc32)cc1
InChIInChI=1S/C15H14N4O2/c1-18(2)12-9-7-11(8-10-12)15(20)21-19-14-6-4-3-5-13(14)16-17-19/h3-10H,1-2H3
InChIKeyUOITWBIZHQLMTH-UHFFFAOYSA-N
XLogP1.77
TPSA60.25 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.30
LogP ≤ 51.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'ester_of_HOBT', 'substructure': 'N/A'}

Analyze benzotriazol-1-yl 4-(dimethylamino)benzoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of benzotriazol-1-yl 4-(dimethylamino)benzoate?
The IUPAC name of benzotriazol-1-yl 4-(dimethylamino)benzoate (CID 15959236) is benzotriazol-1-yl 4-(dimethylamino)benzoate.
What is the SMILES notation for benzotriazol-1-yl 4-(dimethylamino)benzoate?
The canonical SMILES for benzotriazol-1-yl 4-(dimethylamino)benzoate is CN(C)c1ccc(C(=O)On2nnc3ccccc32)cc1.
What is the InChIKey of benzotriazol-1-yl 4-(dimethylamino)benzoate?
The InChIKey is UOITWBIZHQLMTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4O2/c1-18(2)12-9-7-11(8-10-12)15(20)21-19-14-6-4-3-5-13(14)16-17-19/h3-10H,1-2H3.
What are the key properties of benzotriazol-1-yl 4-(dimethylamino)benzoate?
benzotriazol-1-yl 4-(dimethylamino)benzoate has a molecular weight of 282.30 g/mol, XLogP of 1.77, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for benzotriazol-1-yl 4-(dimethylamino)benzoate is sourced from PubChem (CID 15959236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).