benzotriazol-1-yl 4-(methylamino)benzoate

C14H12N4O2 — CID 15959237

IUPACbenzotriazol-1-yl 4-(methylamino)benzoate
SMILESCNc1ccc(C(=O)On2nnc3ccccc32)cc1
InChIInChI=1S/C14H12N4O2/c1-15-11-8-6-10(7-9-11)14(19)20-18-13-5-3-2-4-12(13)16-17-18/h2-9,15H,1H3
InChIKeyJXCSDPIXSVMCBQ-UHFFFAOYSA-N
MW268.28 g/mol
LogP1.74
Rot. Bonds3

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

benzotriazol-1-yl 4-(methylamino)benzoate (PubChem CID 15959237) has the molecular formula C14H12N4O2 and a molecular weight of 268.28 g/mol. Its IUPAC name is benzotriazol-1-yl 4-(methylamino)benzoate.

Molecular Properties

Compound Namebenzotriazol-1-yl 4-(methylamino)benzoate
PubChem CID15959237
Molecular FormulaC14H12N4O2
Molecular Weight268.28 g/mol
Exact Mass268.10
IUPAC Namebenzotriazol-1-yl 4-(methylamino)benzoate
SMILESCNc1ccc(C(=O)On2nnc3ccccc32)cc1
InChIInChI=1S/C14H12N4O2/c1-15-11-8-6-10(7-9-11)14(19)20-18-13-5-3-2-4-12(13)16-17-18/h2-9,15H,1H3
InChIKeyJXCSDPIXSVMCBQ-UHFFFAOYSA-N
XLogP1.74
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.28
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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

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

Launch Full Analysis

Related Compounds

Benzotriazol-1-yl 2-aminobenzoate
CID 15959235
1-(Benzoyloxy)-1H-1,2,3-benzotriazole
CID 555244
Benzotriazol-1-yl 4-(dimethylamino)benzoate
CID 15959236
Benzotriazol-1-yl 4-(diethylamino)benzoate
CID 15959238
Propan-2-yl 4-[(1-ethylbenzotriazole-5-carbonyl)amino]benzoate
CID 9100473
Ethyl 4-[[2-(benzotriazol-1-yl)acetyl]amino]benzoate
CID 657481
4-(1H-Benzotriazol-1-ylmethylamino)benzoic acid
CID 759172
4-[[2-(1-Benzotriazolyl)-1-oxoethyl]amino]benzoic acid methyl ester
CID 645249
4-(3-Benzotriazol-1-yl-propionylamino)-benzoic acid ethyl ester
CID 863081
Methyl 4-[(2,1,3-benzothiadiazol-5-ylcarbonyl)amino]benzoate
CID 1131192
1-methyl-1H-1,2,3-benzotriazole-5-carboxylic acid
CID 2776549
1-Benzyl-1,2,3-benzotriazole-5-carboxylic acid
CID 11608532

Frequently Asked Questions

What is the IUPAC name of benzotriazol-1-yl 4-(methylamino)benzoate?
The IUPAC name of benzotriazol-1-yl 4-(methylamino)benzoate (CID 15959237) is benzotriazol-1-yl 4-(methylamino)benzoate.
What is the SMILES notation for benzotriazol-1-yl 4-(methylamino)benzoate?
The canonical SMILES for benzotriazol-1-yl 4-(methylamino)benzoate is CNc1ccc(C(=O)On2nnc3ccccc32)cc1.
What is the InChIKey of benzotriazol-1-yl 4-(methylamino)benzoate?
The InChIKey is JXCSDPIXSVMCBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N4O2/c1-15-11-8-6-10(7-9-11)14(19)20-18-13-5-3-2-4-12(13)16-17-18/h2-9,15H,1H3.
What are the key properties of benzotriazol-1-yl 4-(methylamino)benzoate?
benzotriazol-1-yl 4-(methylamino)benzoate has a molecular weight of 268.28 g/mol, XLogP of 1.74, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for benzotriazol-1-yl 4-(methylamino)benzoate is sourced from PubChem (CID 15959237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).