1-benzyl-N-[3-(tetrazol-1-yl)phenyl]triazole-4-carboxamide

C17H14N8O — CID 24627598

IUPAC1-benzyl-N-[3-(tetrazol-1-yl)phenyl]triazole-4-carboxamide
SMILESO=C(Nc1cccc(-n2cnnn2)c1)c1cn(Cc2ccccc2)nn1
InChIInChI=1S/C17H14N8O/c26-17(16-11-24(22-20-16)10-13-5-2-1-3-6-13)19-14-7-4-8-15(9-14)25-12-18-21-23-25/h1-9,11-12H,10H2,(H,19,26)
InChIKeyYSBKKPLWRXALGR-UHFFFAOYSA-N
MW346.35 g/mol
LogP1.55
Rot. Bonds5

About 1-benzyl-N-[3-(tetrazol-1-yl)phenyl]triazole-4-carboxamide

1-benzyl-N-[3-(tetrazol-1-yl)phenyl]triazole-4-carboxamide (PubChem CID 24627598) has the molecular formula C17H14N8O and a molecular weight of 346.35 g/mol. Its IUPAC name is 1-benzyl-N-[3-(tetrazol-1-yl)phenyl]triazole-4-carboxamide.

Molecular Properties

Compound Name1-benzyl-N-[3-(tetrazol-1-yl)phenyl]triazole-4-carboxamide
PubChem CID24627598
Molecular FormulaC17H14N8O
Molecular Weight346.35 g/mol
Exact Mass346.13
IUPAC Name1-benzyl-N-[3-(tetrazol-1-yl)phenyl]triazole-4-carboxamide
SMILESO=C(Nc1cccc(-n2cnnn2)c1)c1cn(Cc2ccccc2)nn1
InChIInChI=1S/C17H14N8O/c26-17(16-11-24(22-20-16)10-13-5-2-1-3-6-13)19-14-7-4-8-15(9-14)25-12-18-21-23-25/h1-9,11-12H,10H2,(H,19,26)
InChIKeyYSBKKPLWRXALGR-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

1-benzyl-N-[3-(4-ethyl-1,2,4-triazol-3-yl)phenyl]triazole-4-carboxamide
CID 32577417
N-[3-(tetrazol-1-yl)phenyl]-2H-triazole-4-carboxamide
CID 47367692
1-benzyl-N-(3-chloro-4-fluorophenyl)triazole-4-carboxamide
CID 18146618
2-[(4-benzyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-[3-(tetrazol-1-yl)phenyl]acetamide
CID 34549774
2,2-diphenyl-N-[3-(tetrazol-1-yl)phenyl]acetamide
CID 7694180
1-benzyl-N-[4-chloro-3-(trifluoromethyl)phenyl]triazole-4-carboxamide
CID 31760548
3-phenylmethoxy-N-[3-(tetrazol-1-yl)phenyl]-1,2-oxazole-5-carboxamide
CID 146021794
4-amino-N-[3-(tetrazol-1-yl)phenyl]benzamide
CID 43702822
1-benzyl-N-[4-bromo-3-(trifluoromethyl)phenyl]triazole-4-carboxamide
CID 24620815
2-bromo-N-[3-(tetrazol-1-yl)phenyl]acetamide
CID 63681198
N-(1,3-benzodioxol-5-yl)-1-benzyltriazole-4-carboxamide
CID 31699405
1-benzyl-N-[(3-carbamoylphenyl)methyl]triazole-4-carboxamide
CID 32637465

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-N-[3-(tetrazol-1-yl)phenyl]triazole-4-carboxamide?
The IUPAC name of 1-benzyl-N-[3-(tetrazol-1-yl)phenyl]triazole-4-carboxamide (CID 24627598) is 1-benzyl-N-[3-(tetrazol-1-yl)phenyl]triazole-4-carboxamide.
What is the SMILES notation for 1-benzyl-N-[3-(tetrazol-1-yl)phenyl]triazole-4-carboxamide?
The canonical SMILES for 1-benzyl-N-[3-(tetrazol-1-yl)phenyl]triazole-4-carboxamide is O=C(Nc1cccc(-n2cnnn2)c1)c1cn(Cc2ccccc2)nn1.
What is the InChIKey of 1-benzyl-N-[3-(tetrazol-1-yl)phenyl]triazole-4-carboxamide?
The InChIKey is YSBKKPLWRXALGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N8O/c26-17(16-11-24(22-20-16)10-13-5-2-1-3-6-13)19-14-7-4-8-15(9-14)25-12-18-21-23-25/h1-9,11-12H,10H2,(H,19,26).
What are the key properties of 1-benzyl-N-[3-(tetrazol-1-yl)phenyl]triazole-4-carboxamide?
1-benzyl-N-[3-(tetrazol-1-yl)phenyl]triazole-4-carboxamide 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 1-benzyl-N-[3-(tetrazol-1-yl)phenyl]triazole-4-carboxamide is sourced from PubChem (CID 24627598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).