N-[4-(tetrazol-1-yl)phenyl]-4-(1,2,4-triazol-1-ylmethyl)benzamide

C17H14N8O — CID 43038170

IUPACN-[4-(tetrazol-1-yl)phenyl]-4-(1,2,4-triazol-1-ylmethyl)benzamide
SMILESO=C(Nc1ccc(-n2cnnn2)cc1)c1ccc(Cn2cncn2)cc1
InChIInChI=1S/C17H14N8O/c26-17(14-3-1-13(2-4-14)9-24-11-18-10-20-24)21-15-5-7-16(8-6-15)25-12-19-22-23-25/h1-8,10-12H,9H2,(H,21,26)
InChIKeySVCCMLOOKSBRBE-UHFFFAOYSA-N
MW346.35 g/mol
LogP1.55
Rot. Bonds5

About N-[4-(tetrazol-1-yl)phenyl]-4-(1,2,4-triazol-1-ylmethyl)benzamide

N-[4-(tetrazol-1-yl)phenyl]-4-(1,2,4-triazol-1-ylmethyl)benzamide (PubChem CID 43038170) has the molecular formula C17H14N8O and a molecular weight of 346.35 g/mol. Its IUPAC name is N-[4-(tetrazol-1-yl)phenyl]-4-(1,2,4-triazol-1-ylmethyl)benzamide.

Molecular Properties

Compound NameN-[4-(tetrazol-1-yl)phenyl]-4-(1,2,4-triazol-1-ylmethyl)benzamide
PubChem CID43038170
Molecular FormulaC17H14N8O
Molecular Weight346.35 g/mol
Exact Mass346.13
IUPAC NameN-[4-(tetrazol-1-yl)phenyl]-4-(1,2,4-triazol-1-ylmethyl)benzamide
SMILESO=C(Nc1ccc(-n2cnnn2)cc1)c1ccc(Cn2cncn2)cc1
InChIInChI=1S/C17H14N8O/c26-17(14-3-1-13(2-4-14)9-24-11-18-10-20-24)21-15-5-7-16(8-6-15)25-12-19-22-23-25/h1-8,10-12H,9H2,(H,21,26)
InChIKeySVCCMLOOKSBRBE-UHFFFAOYSA-N
XLogP1.55
TPSA103.41 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.35
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze N-[4-(tetrazol-1-yl)phenyl]-4-(1,2,4-triazol-1-ylmethyl)benzamide 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

4-(tetrazol-1-yl)-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]benzamide
CID 31957653
2-[4-(tetrazol-1-yl)phenyl]-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]acetamide
CID 78863578
N-[4-(methylcarbamoyl)phenyl]-4-(1,2,4-triazol-1-ylmethyl)benzamide
CID 24603454
N-(4-tert-butylphenyl)-4-(1,2,4-triazol-1-ylmethyl)benzamide
CID 51306669
N-(4-ethylphenyl)-4-(tetrazol-1-yl)benzamide
CID 7465186
ethyl 4-[[4-(1,2,4-triazol-1-ylmethyl)benzoyl]amino]benzoate
CID 42063924
5-bromo-2-(tetrazol-1-yl)-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]benzamide
CID 71708594
4-[(2,5-dioxopyrrolidin-1-yl)methyl]-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]benzamide
CID 30873270
4-iodo-N-[4-(tetrazol-1-yl)phenyl]benzamide
CID 26729235
N-[4-(tetrazol-1-yl)phenyl]-4-(trifluoromethyl)benzamide
CID 7930055
N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]pyridine-3-carboxamide
CID 43073180
N-(3-iodo-4-methylphenyl)-4-(1,2,4-triazol-1-ylmethyl)benzamide
CID 24590803

Frequently Asked Questions

What is the IUPAC name of N-[4-(tetrazol-1-yl)phenyl]-4-(1,2,4-triazol-1-ylmethyl)benzamide?
The IUPAC name of N-[4-(tetrazol-1-yl)phenyl]-4-(1,2,4-triazol-1-ylmethyl)benzamide (CID 43038170) is N-[4-(tetrazol-1-yl)phenyl]-4-(1,2,4-triazol-1-ylmethyl)benzamide.
What is the SMILES notation for N-[4-(tetrazol-1-yl)phenyl]-4-(1,2,4-triazol-1-ylmethyl)benzamide?
The canonical SMILES for N-[4-(tetrazol-1-yl)phenyl]-4-(1,2,4-triazol-1-ylmethyl)benzamide is O=C(Nc1ccc(-n2cnnn2)cc1)c1ccc(Cn2cncn2)cc1.
What is the InChIKey of N-[4-(tetrazol-1-yl)phenyl]-4-(1,2,4-triazol-1-ylmethyl)benzamide?
The InChIKey is SVCCMLOOKSBRBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N8O/c26-17(14-3-1-13(2-4-14)9-24-11-18-10-20-24)21-15-5-7-16(8-6-15)25-12-19-22-23-25/h1-8,10-12H,9H2,(H,21,26).
What are the key properties of N-[4-(tetrazol-1-yl)phenyl]-4-(1,2,4-triazol-1-ylmethyl)benzamide?
N-[4-(tetrazol-1-yl)phenyl]-4-(1,2,4-triazol-1-ylmethyl)benzamide has a molecular weight of 346.35 g/mol, XLogP of 1.55, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(tetrazol-1-yl)phenyl]-4-(1,2,4-triazol-1-ylmethyl)benzamide is sourced from PubChem (CID 43038170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).