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

C17H14N8O — CID 31957653

IUPAC4-(tetrazol-1-yl)-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]benzamide
SMILESO=C(Nc1ccc(Cn2cncn2)cc1)c1ccc(-n2cnnn2)cc1
InChIInChI=1S/C17H14N8O/c26-17(14-3-7-16(8-4-14)25-12-19-22-23-25)21-15-5-1-13(2-6-15)9-24-11-18-10-20-24/h1-8,10-12H,9H2,(H,21,26)
InChIKeyQXHIFJAJCKTOIC-UHFFFAOYSA-N
MW346.35 g/mol
LogP1.55
Rot. Bonds5

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

4-(tetrazol-1-yl)-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]benzamide (PubChem CID 31957653) has the molecular formula C17H14N8O and a molecular weight of 346.35 g/mol. Its IUPAC name is 4-(tetrazol-1-yl)-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]benzamide.

Molecular Properties

Compound Name4-(tetrazol-1-yl)-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]benzamide
PubChem CID31957653
Molecular FormulaC17H14N8O
Molecular Weight346.35 g/mol
Exact Mass346.13
IUPAC Name4-(tetrazol-1-yl)-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]benzamide
SMILESO=C(Nc1ccc(Cn2cncn2)cc1)c1ccc(-n2cnnn2)cc1
InChIInChI=1S/C17H14N8O/c26-17(14-3-7-16(8-4-14)25-12-19-22-23-25)21-15-5-1-13(2-6-15)9-24-11-18-10-20-24/h1-8,10-12H,9H2,(H,21,26)
InChIKeyQXHIFJAJCKTOIC-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

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Related Compounds

N-[4-(tetrazol-1-yl)phenyl]-4-(1,2,4-triazol-1-ylmethyl)benzamide
CID 43038170
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 4-(tetrazol-1-yl)-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]benzamide?
The IUPAC name of 4-(tetrazol-1-yl)-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]benzamide (CID 31957653) is 4-(tetrazol-1-yl)-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]benzamide.
What is the SMILES notation for 4-(tetrazol-1-yl)-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]benzamide?
The canonical SMILES for 4-(tetrazol-1-yl)-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]benzamide is O=C(Nc1ccc(Cn2cncn2)cc1)c1ccc(-n2cnnn2)cc1.
What is the InChIKey of 4-(tetrazol-1-yl)-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]benzamide?
The InChIKey is QXHIFJAJCKTOIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N8O/c26-17(14-3-7-16(8-4-14)25-12-19-22-23-25)21-15-5-1-13(2-6-15)9-24-11-18-10-20-24/h1-8,10-12H,9H2,(H,21,26).
What are the key properties of 4-(tetrazol-1-yl)-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]benzamide?
4-(tetrazol-1-yl)-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]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 4-(tetrazol-1-yl)-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]benzamide is sourced from PubChem (CID 31957653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).