2-(tetrazol-1-yl)-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]benzamide

C16H14N8O — CID 51247813

IUPAC2-(tetrazol-1-yl)-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]benzamide
SMILESCC(NC(=O)c1ccccc1-n1cnnn1)c1nnc2ccccn12
InChIInChI=1S/C16H14N8O/c1-11(15-20-19-14-8-4-5-9-23(14)15)18-16(25)12-6-2-3-7-13(12)24-10-17-21-22-24/h2-11H,1H3,(H,18,25)
InChIKeyHNYLNURYOVXHGI-UHFFFAOYSA-N
MW334.34 g/mol
LogP1.20
Rot. Bonds4

About 2-(tetrazol-1-yl)-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]benzamide

2-(tetrazol-1-yl)-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]benzamide (PubChem CID 51247813) has the molecular formula C16H14N8O and a molecular weight of 334.34 g/mol. Its IUPAC name is 2-(tetrazol-1-yl)-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]benzamide.

Molecular Properties

Compound Name2-(tetrazol-1-yl)-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]benzamide
PubChem CID51247813
Molecular FormulaC16H14N8O
Molecular Weight334.34 g/mol
Exact Mass334.13
IUPAC Name2-(tetrazol-1-yl)-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]benzamide
SMILESCC(NC(=O)c1ccccc1-n1cnnn1)c1nnc2ccccn12
InChIInChI=1S/C16H14N8O/c1-11(15-20-19-14-8-4-5-9-23(14)15)18-16(25)12-6-2-3-7-13(12)24-10-17-21-22-24/h2-11H,1H3,(H,18,25)
InChIKeyHNYLNURYOVXHGI-UHFFFAOYSA-N
XLogP1.20
TPSA102.89 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.34
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

2-(tetrazol-1-yl)-N-[(1R)-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]benzamide
CID 71829200
2-(tetrazol-1-yl)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)benzamide
CID 46541136
N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]naphthalene-1-carboxamide
CID 47013032
N-[(1R)-1-(4-imidazol-1-ylphenyl)ethyl]-2-(tetrazol-1-yl)benzamide
CID 9119802
N-(5-methylhexan-2-yl)-2-(tetrazol-1-yl)benzamide
CID 78789374
3,4-dimethyl-N-[3-methyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)butyl]-2-(tetrazol-1-yl)benzamide
CID 171132517
N-[1-(2,5-dimethylphenyl)ethyl]-2-(tetrazol-1-yl)benzamide
CID 42893682
N-[(1S)-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]pyridine-3-carboxamide
CID 23474179
N-(1-methoxypropan-2-yl)-2-(tetrazol-1-yl)benzamide
CID 46642572
2-(tetrazol-1-yl)-N-[5-([1,2,4]triazolo[4,3-a]pyridin-3-yl)pentyl]benzamide
CID 91823650
N-[1-(2,4-difluorophenyl)ethyl]-2-(tetrazol-1-yl)benzamide
CID 51150347
N-chloro-2-(tetrazol-1-yl)benzamide
CID 91422333

Frequently Asked Questions

What is the IUPAC name of 2-(tetrazol-1-yl)-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]benzamide?
The IUPAC name of 2-(tetrazol-1-yl)-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]benzamide (CID 51247813) is 2-(tetrazol-1-yl)-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]benzamide.
What is the SMILES notation for 2-(tetrazol-1-yl)-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]benzamide?
The canonical SMILES for 2-(tetrazol-1-yl)-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]benzamide is CC(NC(=O)c1ccccc1-n1cnnn1)c1nnc2ccccn12.
What is the InChIKey of 2-(tetrazol-1-yl)-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]benzamide?
The InChIKey is HNYLNURYOVXHGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N8O/c1-11(15-20-19-14-8-4-5-9-23(14)15)18-16(25)12-6-2-3-7-13(12)24-10-17-21-22-24/h2-11H,1H3,(H,18,25).
What are the key properties of 2-(tetrazol-1-yl)-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]benzamide?
2-(tetrazol-1-yl)-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]benzamide has a molecular weight of 334.34 g/mol, XLogP of 1.20, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(tetrazol-1-yl)-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]benzamide is sourced from PubChem (CID 51247813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).