2-(tetrazol-1-yl)-N-[5-([1,2,4]triazolo[4,3-a]pyridin-3-yl)pentyl]benzamide

C19H20N8O — CID 91823650

IUPAC2-(tetrazol-1-yl)-N-[5-([1,2,4]triazolo[4,3-a]pyridin-3-yl)pentyl]benzamide
SMILESO=C(NCCCCCc1nnc2ccccn12)c1ccccc1-n1cnnn1
InChIInChI=1S/C19H20N8O/c28-19(15-8-3-4-9-16(15)27-14-21-24-25-27)20-12-6-1-2-10-17-22-23-18-11-5-7-13-26(17)18/h3-5,7-9,11,13-14H,1-2,6,10,12H2,(H,20,28)
InChIKeyAYARDVRBGQJYPP-UHFFFAOYSA-N
MW376.42 g/mol
LogP1.85
Rot. Bonds8

About 2-(tetrazol-1-yl)-N-[5-([1,2,4]triazolo[4,3-a]pyridin-3-yl)pentyl]benzamide

2-(tetrazol-1-yl)-N-[5-([1,2,4]triazolo[4,3-a]pyridin-3-yl)pentyl]benzamide (PubChem CID 91823650) has the molecular formula C19H20N8O and a molecular weight of 376.42 g/mol. Its IUPAC name is 2-(tetrazol-1-yl)-N-[5-([1,2,4]triazolo[4,3-a]pyridin-3-yl)pentyl]benzamide.

Molecular Properties

Compound Name2-(tetrazol-1-yl)-N-[5-([1,2,4]triazolo[4,3-a]pyridin-3-yl)pentyl]benzamide
PubChem CID91823650
Molecular FormulaC19H20N8O
Molecular Weight376.42 g/mol
Exact Mass376.18
IUPAC Name2-(tetrazol-1-yl)-N-[5-([1,2,4]triazolo[4,3-a]pyridin-3-yl)pentyl]benzamide
SMILESO=C(NCCCCCc1nnc2ccccn12)c1ccccc1-n1cnnn1
InChIInChI=1S/C19H20N8O/c28-19(15-8-3-4-9-16(15)27-14-21-24-25-27)20-12-6-1-2-10-17-22-23-18-11-5-7-13-26(17)18/h3-5,7-9,11,13-14H,1-2,6,10,12H2,(H,20,28)
InChIKeyAYARDVRBGQJYPP-UHFFFAOYSA-N
XLogP1.85
TPSA102.89 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.42
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(tetrazol-1-yl)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)benzamide
CID 46541136
3-(tetrazol-1-yl)-N-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]benzamide
CID 91822812
4,5-dimethyl-2-(tetrazol-1-yl)-N-[5-([1,2,4]triazolo[4,3-a]pyridin-3-yl)pentyl]thiophene-3-carboxamide
CID 125431094
2-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethylcarbamoyl]benzoic acid
CID 91947510
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-benzoyl-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]benzamide
CID 17444903
2-amino-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]benzamide
CID 61249409
N-[2-(3,5-difluorophenyl)ethyl]-2-(tetrazol-1-yl)benzamide
CID 51101650
N-[5-([1,2,4]triazolo[4,3-a]pyridin-3-yl)pentyl]tetrazolo[1,5-b]pyridazin-6-amine
CID 125432939
N-chloro-2-(tetrazol-1-yl)benzamide
CID 91422333
2,6-dichloro-N-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]benzamide
CID 91947806

Frequently Asked Questions

What is the IUPAC name of 2-(tetrazol-1-yl)-N-[5-([1,2,4]triazolo[4,3-a]pyridin-3-yl)pentyl]benzamide?
The IUPAC name of 2-(tetrazol-1-yl)-N-[5-([1,2,4]triazolo[4,3-a]pyridin-3-yl)pentyl]benzamide (CID 91823650) is 2-(tetrazol-1-yl)-N-[5-([1,2,4]triazolo[4,3-a]pyridin-3-yl)pentyl]benzamide.
What is the SMILES notation for 2-(tetrazol-1-yl)-N-[5-([1,2,4]triazolo[4,3-a]pyridin-3-yl)pentyl]benzamide?
The canonical SMILES for 2-(tetrazol-1-yl)-N-[5-([1,2,4]triazolo[4,3-a]pyridin-3-yl)pentyl]benzamide is O=C(NCCCCCc1nnc2ccccn12)c1ccccc1-n1cnnn1.
What is the InChIKey of 2-(tetrazol-1-yl)-N-[5-([1,2,4]triazolo[4,3-a]pyridin-3-yl)pentyl]benzamide?
The InChIKey is AYARDVRBGQJYPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N8O/c28-19(15-8-3-4-9-16(15)27-14-21-24-25-27)20-12-6-1-2-10-17-22-23-18-11-5-7-13-26(17)18/h3-5,7-9,11,13-14H,1-2,6,10,12H2,(H,20,28).
What are the key properties of 2-(tetrazol-1-yl)-N-[5-([1,2,4]triazolo[4,3-a]pyridin-3-yl)pentyl]benzamide?
2-(tetrazol-1-yl)-N-[5-([1,2,4]triazolo[4,3-a]pyridin-3-yl)pentyl]benzamide has a molecular weight of 376.42 g/mol, XLogP of 1.85, 8 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-[5-([1,2,4]triazolo[4,3-a]pyridin-3-yl)pentyl]benzamide is sourced from PubChem (CID 91823650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).