benzotriazol-1-yl 1H-indole-2-carboxylate

C15H10N4O2 — CID 15959241

IUPACbenzotriazol-1-yl 1H-indole-2-carboxylate
SMILESO=C(On1nnc2ccccc21)c1cc2ccccc2[nH]1
InChIInChI=1S/C15H10N4O2/c20-15(13-9-10-5-1-2-6-11(10)16-13)21-19-14-8-4-3-7-12(14)17-18-19/h1-9,16H
InChIKeyZDPADJJUIZEJSZ-UHFFFAOYSA-N
MW278.27 g/mol
LogP2.18
Rot. Bonds2

About benzotriazol-1-yl 1H-indole-2-carboxylate

benzotriazol-1-yl 1H-indole-2-carboxylate (PubChem CID 15959241) has the molecular formula C15H10N4O2 and a molecular weight of 278.27 g/mol. Its IUPAC name is benzotriazol-1-yl 1H-indole-2-carboxylate.

Molecular Properties

Compound Namebenzotriazol-1-yl 1H-indole-2-carboxylate
PubChem CID15959241
Molecular FormulaC15H10N4O2
Molecular Weight278.27 g/mol
Exact Mass278.08
IUPAC Namebenzotriazol-1-yl 1H-indole-2-carboxylate
SMILESO=C(On1nnc2ccccc21)c1cc2ccccc2[nH]1
InChIInChI=1S/C15H10N4O2/c20-15(13-9-10-5-1-2-6-11(10)16-13)21-19-14-8-4-3-7-12(14)17-18-19/h1-9,16H
InChIKeyZDPADJJUIZEJSZ-UHFFFAOYSA-N
XLogP2.18
TPSA72.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.27
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze benzotriazol-1-yl 1H-indole-2-carboxylate 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 1H-indole-2-carboxylate?
The IUPAC name of benzotriazol-1-yl 1H-indole-2-carboxylate (CID 15959241) is benzotriazol-1-yl 1H-indole-2-carboxylate.
What is the SMILES notation for benzotriazol-1-yl 1H-indole-2-carboxylate?
The canonical SMILES for benzotriazol-1-yl 1H-indole-2-carboxylate is O=C(On1nnc2ccccc21)c1cc2ccccc2[nH]1.
What is the InChIKey of benzotriazol-1-yl 1H-indole-2-carboxylate?
The InChIKey is ZDPADJJUIZEJSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10N4O2/c20-15(13-9-10-5-1-2-6-11(10)16-13)21-19-14-8-4-3-7-12(14)17-18-19/h1-9,16H.
What are the key properties of benzotriazol-1-yl 1H-indole-2-carboxylate?
benzotriazol-1-yl 1H-indole-2-carboxylate has a molecular weight of 278.27 g/mol, XLogP of 2.18, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for benzotriazol-1-yl 1H-indole-2-carboxylate is sourced from PubChem (CID 15959241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).