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

C17H16N8O — CID 91822812

IUPAC3-(tetrazol-1-yl)-N-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]benzamide
SMILESO=C(NCCCc1nnc2ccccn12)c1cccc(-n2cnnn2)c1
InChIInChI=1S/C17H16N8O/c26-17(13-5-3-6-14(11-13)25-12-19-22-23-25)18-9-4-8-16-21-20-15-7-1-2-10-24(15)16/h1-3,5-7,10-12H,4,8-9H2,(H,18,26)
InChIKeyCBLHLIRYZMTUIO-UHFFFAOYSA-N
MW348.37 g/mol
LogP1.07
Rot. Bonds6

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

3-(tetrazol-1-yl)-N-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]benzamide (PubChem CID 91822812) has the molecular formula C17H16N8O and a molecular weight of 348.37 g/mol. Its IUPAC name is 3-(tetrazol-1-yl)-N-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]benzamide.

Molecular Properties

Compound Name3-(tetrazol-1-yl)-N-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]benzamide
PubChem CID91822812
Molecular FormulaC17H16N8O
Molecular Weight348.37 g/mol
Exact Mass348.14
IUPAC Name3-(tetrazol-1-yl)-N-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]benzamide
SMILESO=C(NCCCc1nnc2ccccn12)c1cccc(-n2cnnn2)c1
InChIInChI=1S/C17H16N8O/c26-17(13-5-3-6-14(11-13)25-12-19-22-23-25)18-9-4-8-16-21-20-15-7-1-2-10-24(15)16/h1-3,5-7,10-12H,4,8-9H2,(H,18,26)
InChIKeyCBLHLIRYZMTUIO-UHFFFAOYSA-N
XLogP1.07
TPSA102.89 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.37
LogP ≤ 51.07
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-[5-([1,2,4]triazolo[4,3-a]pyridin-3-yl)pentyl]benzamide
CID 91823650
3-phenoxy-N-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]benzamide
CID 91947850
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
2,6-dichloro-N-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]benzamide
CID 91947806
1-methyl-N-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]indole-6-carboxamide
CID 71702523
N-[3-(2-fluorophenoxy)propyl]-3-(tetrazol-1-yl)benzamide
CID 39483104
3,4,5-trimethoxy-N-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]benzamide
CID 45496104
N-(3,3-diphenylpropyl)-3-(tetrazol-1-yl)benzamide
CID 26881046
3-phenoxy-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]benzamide
CID 17448491
N-(pyrazolo[1,5-a]pyridin-2-ylmethyl)-3-(tetrazol-1-yl)benzamide
CID 90569406
3,4-dichloro-N-[2-[[3-(tetrazol-1-yl)benzoyl]amino]ethyl]benzamide
CID 34812905
N-[3-(4-phenylpiperazin-1-yl)propyl]-3-(tetrazol-1-yl)benzamide
CID 33134269

Frequently Asked Questions

What is the IUPAC name of 3-(tetrazol-1-yl)-N-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]benzamide?
The IUPAC name of 3-(tetrazol-1-yl)-N-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]benzamide (CID 91822812) is 3-(tetrazol-1-yl)-N-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]benzamide.
What is the SMILES notation for 3-(tetrazol-1-yl)-N-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]benzamide?
The canonical SMILES for 3-(tetrazol-1-yl)-N-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]benzamide is O=C(NCCCc1nnc2ccccn12)c1cccc(-n2cnnn2)c1.
What is the InChIKey of 3-(tetrazol-1-yl)-N-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]benzamide?
The InChIKey is CBLHLIRYZMTUIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N8O/c26-17(13-5-3-6-14(11-13)25-12-19-22-23-25)18-9-4-8-16-21-20-15-7-1-2-10-24(15)16/h1-3,5-7,10-12H,4,8-9H2,(H,18,26).
What are the key properties of 3-(tetrazol-1-yl)-N-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]benzamide?
3-(tetrazol-1-yl)-N-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]benzamide has a molecular weight of 348.37 g/mol, XLogP of 1.07, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(tetrazol-1-yl)-N-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]benzamide is sourced from PubChem (CID 91822812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).