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

C15H12N8O — CID 46541136

IUPAC2-(tetrazol-1-yl)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)benzamide
SMILESO=C(NCc1nnc2ccccn12)c1ccccc1-n1cnnn1
InChIInChI=1S/C15H12N8O/c24-15(11-5-1-2-6-12(11)23-10-17-20-21-23)16-9-14-19-18-13-7-3-4-8-22(13)14/h1-8,10H,9H2,(H,16,24)
InChIKeySRMNOBATZJWYNB-UHFFFAOYSA-N
MW320.32 g/mol
LogP0.63
Rot. Bonds4

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

2-(tetrazol-1-yl)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)benzamide (PubChem CID 46541136) has the molecular formula C15H12N8O and a molecular weight of 320.32 g/mol. Its IUPAC name is 2-(tetrazol-1-yl)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)benzamide.

Molecular Properties

Compound Name2-(tetrazol-1-yl)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)benzamide
PubChem CID46541136
Molecular FormulaC15H12N8O
Molecular Weight320.32 g/mol
Exact Mass320.11
IUPAC Name2-(tetrazol-1-yl)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)benzamide
SMILESO=C(NCc1nnc2ccccn12)c1ccccc1-n1cnnn1
InChIInChI=1S/C15H12N8O/c24-15(11-5-1-2-6-12(11)23-10-17-20-21-23)16-9-14-19-18-13-7-3-4-8-22(13)14/h1-8,10H,9H2,(H,16,24)
InChIKeySRMNOBATZJWYNB-UHFFFAOYSA-N
XLogP0.63
TPSA102.89 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.32
LogP ≤ 50.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

2-(tetrazol-1-yl)-N-[5-([1,2,4]triazolo[4,3-a]pyridin-3-yl)pentyl]benzamide
CID 91823650
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-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]benzamide
CID 51247813
2-fluoro-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)benzamide
CID 9021173
N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)benzamide
CID 9020998
N-[[2-(hydroxymethyl)phenyl]methyl]-2-(tetrazol-1-yl)benzamide
CID 110931289
N-(pyridin-4-ylmethyl)-2-(tetrazol-1-yl)benzamide
CID 28934785
2-methylsulfonyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)benzamide
CID 31307812
4-amino-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)benzamide
CID 61274777
N-[(3-chlorophenyl)methyl]-2-(tetrazol-1-yl)benzamide
CID 9208938
3-(tetrazol-1-yl)-N-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]benzamide
CID 91822812
3-chloro-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)pyridine-4-carboxamide
CID 66484521

Frequently Asked Questions

What is the IUPAC name of 2-(tetrazol-1-yl)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)benzamide?
The IUPAC name of 2-(tetrazol-1-yl)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)benzamide (CID 46541136) is 2-(tetrazol-1-yl)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)benzamide.
What is the SMILES notation for 2-(tetrazol-1-yl)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)benzamide?
The canonical SMILES for 2-(tetrazol-1-yl)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)benzamide is O=C(NCc1nnc2ccccn12)c1ccccc1-n1cnnn1.
What is the InChIKey of 2-(tetrazol-1-yl)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)benzamide?
The InChIKey is SRMNOBATZJWYNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N8O/c24-15(11-5-1-2-6-12(11)23-10-17-20-21-23)16-9-14-19-18-13-7-3-4-8-22(13)14/h1-8,10H,9H2,(H,16,24).
What are the key properties of 2-(tetrazol-1-yl)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)benzamide?
2-(tetrazol-1-yl)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)benzamide has a molecular weight of 320.32 g/mol, XLogP of 0.63, 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-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)benzamide is sourced from PubChem (CID 46541136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).