N-[1-phenyl-2-(triazol-2-yl)ethyl]-2H-benzotriazole-5-carboxamide

C17H15N7O — CID 121176353

IUPACN-[1-phenyl-2-(triazol-2-yl)ethyl]-2H-benzotriazole-5-carboxamide
SMILESO=C(NC(Cn1nccn1)c1ccccc1)c1ccc2n[nH]nc2c1
InChIInChI=1S/C17H15N7O/c25-17(13-6-7-14-15(10-13)22-23-21-14)20-16(11-24-18-8-9-19-24)12-4-2-1-3-5-12/h1-10,16H,11H2,(H,20,25)(H,21,22,23)
InChIKeyXJRBHBULJDPKNT-UHFFFAOYSA-N
MW333.36 g/mol
LogP1.72
Rot. Bonds5

About N-[1-phenyl-2-(triazol-2-yl)ethyl]-2H-benzotriazole-5-carboxamide

N-[1-phenyl-2-(triazol-2-yl)ethyl]-2H-benzotriazole-5-carboxamide (PubChem CID 121176353) has the molecular formula C17H15N7O and a molecular weight of 333.36 g/mol. Its IUPAC name is N-[1-phenyl-2-(triazol-2-yl)ethyl]-2H-benzotriazole-5-carboxamide.

Molecular Properties

Compound NameN-[1-phenyl-2-(triazol-2-yl)ethyl]-2H-benzotriazole-5-carboxamide
PubChem CID121176353
Molecular FormulaC17H15N7O
Molecular Weight333.36 g/mol
Exact Mass333.13
IUPAC NameN-[1-phenyl-2-(triazol-2-yl)ethyl]-2H-benzotriazole-5-carboxamide
SMILESO=C(NC(Cn1nccn1)c1ccccc1)c1ccc2n[nH]nc2c1
InChIInChI=1S/C17H15N7O/c25-17(13-6-7-14-15(10-13)22-23-21-14)20-16(11-24-18-8-9-19-24)12-4-2-1-3-5-12/h1-10,16H,11H2,(H,20,25)(H,21,22,23)
InChIKeyXJRBHBULJDPKNT-UHFFFAOYSA-N
XLogP1.72
TPSA101.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.36
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[1-phenyl-2-(triazol-2-yl)ethyl]-2H-benzotriazole-5-carboxamide 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

N-(2-imidazol-1-yl-1-phenylethyl)-2H-benzotriazole-5-carboxamide
CID 77089106
N-[1-phenyl-2-(triazol-2-yl)ethyl]-1H-indole-5-carboxamide
CID 119101650
N-[(1R)-1-phenyl-3-(1,2,4-triazol-1-yl)propyl]-2H-benzotriazole-5-carboxamide
CID 99992535
propan-2-yl 3-(2H-benzotriazole-5-carbonylamino)-3-phenylpropanoate
CID 55464119
N-[(1R)-1-phenyl-2-(triazol-2-yl)ethyl]-1,3-benzothiazole-2-carboxamide
CID 124891454
N-[(1R)-2-(3-methyl-1,2,4-oxadiazol-5-yl)-1-phenylethyl]-2H-benzotriazole-5-carboxamide
CID 129359252
N-[(1R)-1-phenyl-2-(triazol-2-yl)ethyl]-1,2-oxazole-5-carboxamide
CID 124877934
N-[(1S)-1-(4-methylphenyl)propyl]-2H-benzotriazole-5-carboxamide
CID 51562771
5-phenyl-N-[1-phenyl-2-(triazol-2-yl)ethyl]-1,2-oxazole-3-carboxamide
CID 121176253
N-[1-phenyl-2-(triazol-2-yl)ethyl]butanamide
CID 121176333
2-phenyl-N-[(1S)-1-phenyl-2-(triazol-2-yl)ethyl]triazole-4-carboxamide
CID 124759844
4-methyl-N-[(1R)-1-phenyl-2-(triazol-2-yl)ethyl]thiadiazole-5-carboxamide
CID 124876032

Frequently Asked Questions

What is the IUPAC name of N-[1-phenyl-2-(triazol-2-yl)ethyl]-2H-benzotriazole-5-carboxamide?
The IUPAC name of N-[1-phenyl-2-(triazol-2-yl)ethyl]-2H-benzotriazole-5-carboxamide (CID 121176353) is N-[1-phenyl-2-(triazol-2-yl)ethyl]-2H-benzotriazole-5-carboxamide.
What is the SMILES notation for N-[1-phenyl-2-(triazol-2-yl)ethyl]-2H-benzotriazole-5-carboxamide?
The canonical SMILES for N-[1-phenyl-2-(triazol-2-yl)ethyl]-2H-benzotriazole-5-carboxamide is O=C(NC(Cn1nccn1)c1ccccc1)c1ccc2n[nH]nc2c1.
What is the InChIKey of N-[1-phenyl-2-(triazol-2-yl)ethyl]-2H-benzotriazole-5-carboxamide?
The InChIKey is XJRBHBULJDPKNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N7O/c25-17(13-6-7-14-15(10-13)22-23-21-14)20-16(11-24-18-8-9-19-24)12-4-2-1-3-5-12/h1-10,16H,11H2,(H,20,25)(H,21,22,23).
What are the key properties of N-[1-phenyl-2-(triazol-2-yl)ethyl]-2H-benzotriazole-5-carboxamide?
N-[1-phenyl-2-(triazol-2-yl)ethyl]-2H-benzotriazole-5-carboxamide has a molecular weight of 333.36 g/mol, XLogP of 1.72, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-phenyl-2-(triazol-2-yl)ethyl]-2H-benzotriazole-5-carboxamide is sourced from PubChem (CID 121176353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).