benzotriazole-1-carboxamide

C7H6N4O — CID 3773043

IUPACbenzotriazole-1-carboxamide
SMILESNC(=O)n1nnc2ccccc21
InChIInChI=1S/C7H6N4O/c8-7(12)11-6-4-2-1-3-5(6)9-10-11/h1-4H,(H2,8,12)
InChIKeyUUMXWUNNKCQWHS-UHFFFAOYSA-N
MW162.15 g/mol
LogP0.36
Rot. Bonds

About benzotriazole-1-carboxamide

benzotriazole-1-carboxamide (PubChem CID 3773043) has the molecular formula C7H6N4O and a molecular weight of 162.15 g/mol. Its IUPAC name is benzotriazole-1-carboxamide.

Molecular Properties

Compound Namebenzotriazole-1-carboxamide
PubChem CID3773043
Molecular FormulaC7H6N4O
Molecular Weight162.15 g/mol
Exact Mass162.05
IUPAC Namebenzotriazole-1-carboxamide
SMILESNC(=O)n1nnc2ccccc21
InChIInChI=1S/C7H6N4O/c8-7(12)11-6-4-2-1-3-5(6)9-10-11/h1-4H,(H2,8,12)
InChIKeyUUMXWUNNKCQWHS-UHFFFAOYSA-N
XLogP0.36
TPSA73.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.15
LogP ≤ 50.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze benzotriazole-1-carboxamide 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 benzotriazole-1-carboxamide?
The IUPAC name of benzotriazole-1-carboxamide (CID 3773043) is benzotriazole-1-carboxamide.
What is the SMILES notation for benzotriazole-1-carboxamide?
The canonical SMILES for benzotriazole-1-carboxamide is NC(=O)n1nnc2ccccc21.
What is the InChIKey of benzotriazole-1-carboxamide?
The InChIKey is UUMXWUNNKCQWHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6N4O/c8-7(12)11-6-4-2-1-3-5(6)9-10-11/h1-4H,(H2,8,12).
What are the key properties of benzotriazole-1-carboxamide?
benzotriazole-1-carboxamide has a molecular weight of 162.15 g/mol, XLogP of 0.36, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzotriazole-1-carboxamide is sourced from PubChem (CID 3773043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).