N-benzylbenzotriazole-1-carboxamide

C14H12N4O — CID 3713308

IUPACN-benzylbenzotriazole-1-carboxamide
SMILESO=C(NCc1ccccc1)n1nnc2ccccc21
InChIInChI=1S/C14H12N4O/c19-14(15-10-11-6-2-1-3-7-11)18-13-9-5-4-8-12(13)16-17-18/h1-9H,10H2,(H,15,19)
InChIKeyGSXRJBNITVMSBQ-UHFFFAOYSA-N
MW252.28 g/mol
LogP2.19
Rot. Bonds2

About N-benzylbenzotriazole-1-carboxamide

N-benzylbenzotriazole-1-carboxamide (PubChem CID 3713308) has the molecular formula C14H12N4O and a molecular weight of 252.28 g/mol. Its IUPAC name is N-benzylbenzotriazole-1-carboxamide.

Molecular Properties

Compound NameN-benzylbenzotriazole-1-carboxamide
PubChem CID3713308
Molecular FormulaC14H12N4O
Molecular Weight252.28 g/mol
Exact Mass252.10
IUPAC NameN-benzylbenzotriazole-1-carboxamide
SMILESO=C(NCc1ccccc1)n1nnc2ccccc21
InChIInChI=1S/C14H12N4O/c19-14(15-10-11-6-2-1-3-7-11)18-13-9-5-4-8-12(13)16-17-18/h1-9H,10H2,(H,15,19)
InChIKeyGSXRJBNITVMSBQ-UHFFFAOYSA-N
XLogP2.19
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.28
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-benzylbenzotriazole-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 N-benzylbenzotriazole-1-carboxamide?
The IUPAC name of N-benzylbenzotriazole-1-carboxamide (CID 3713308) is N-benzylbenzotriazole-1-carboxamide.
What is the SMILES notation for N-benzylbenzotriazole-1-carboxamide?
The canonical SMILES for N-benzylbenzotriazole-1-carboxamide is O=C(NCc1ccccc1)n1nnc2ccccc21.
What is the InChIKey of N-benzylbenzotriazole-1-carboxamide?
The InChIKey is GSXRJBNITVMSBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N4O/c19-14(15-10-11-6-2-1-3-7-11)18-13-9-5-4-8-12(13)16-17-18/h1-9H,10H2,(H,15,19).
What are the key properties of N-benzylbenzotriazole-1-carboxamide?
N-benzylbenzotriazole-1-carboxamide has a molecular weight of 252.28 g/mol, XLogP of 2.19, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzylbenzotriazole-1-carboxamide is sourced from PubChem (CID 3713308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).