3-(tetrazol-1-yl)-N-[[8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]benzamide

C16H11F3N8O — CID 91819084

IUPAC3-(tetrazol-1-yl)-N-[[8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]benzamide
SMILESO=C(NCc1nnc2c(C(F)(F)F)cccn12)c1cccc(-n2cnnn2)c1
InChIInChI=1S/C16H11F3N8O/c17-16(18,19)12-5-2-6-26-13(22-23-14(12)26)8-20-15(28)10-3-1-4-11(7-10)27-9-21-24-25-27/h1-7,9H,8H2,(H,20,28)
InChIKeyDNFBPDCHSJJKPO-UHFFFAOYSA-N
MW388.31 g/mol
LogP1.65
Rot. Bonds4

About 3-(tetrazol-1-yl)-N-[[8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]benzamide

3-(tetrazol-1-yl)-N-[[8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]benzamide (PubChem CID 91819084) has the molecular formula C16H11F3N8O and a molecular weight of 388.31 g/mol. Its IUPAC name is 3-(tetrazol-1-yl)-N-[[8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]benzamide.

Molecular Properties

Compound Name3-(tetrazol-1-yl)-N-[[8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]benzamide
PubChem CID91819084
Molecular FormulaC16H11F3N8O
Molecular Weight388.31 g/mol
Exact Mass388.10
IUPAC Name3-(tetrazol-1-yl)-N-[[8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]benzamide
SMILESO=C(NCc1nnc2c(C(F)(F)F)cccn12)c1cccc(-n2cnnn2)c1
InChIInChI=1S/C16H11F3N8O/c17-16(18,19)12-5-2-6-26-13(22-23-14(12)26)8-20-15(28)10-3-1-4-11(7-10)27-9-21-24-25-27/h1-7,9H,8H2,(H,20,28)
InChIKeyDNFBPDCHSJJKPO-UHFFFAOYSA-N
XLogP1.65
TPSA102.89 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.31
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 3-(tetrazol-1-yl)-N-[[8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]benzamide with MolForge

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Related Compounds

N-[[8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]-2,1,3-benzothiadiazole-5-carboxamide
CID 91632835
4-pyrrol-1-yl-N-[[8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]benzamide
CID 91632817
6-oxo-N-[[8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]-1H-pyridine-3-carboxamide
CID 91632818
3-(tetrazol-1-yl)-N-[[2-(trifluoromethoxy)phenyl]methyl]benzamide
CID 34554477
N-(2-amino-2-methylpropyl)-3-(tetrazol-1-yl)benzamide;hydrochloride
CID 119627787
N-[(5-bromo-2-fluorophenyl)methyl]-3-(tetrazol-1-yl)benzamide
CID 46460818
3-(tetrazol-1-yl)-N-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]benzamide
CID 91822812
N-[(3-chlorophenyl)methyl]-3-(tetrazol-1-yl)benzamide
CID 51158739
N-(pyrazolo[1,5-a]pyridin-2-ylmethyl)-3-(tetrazol-1-yl)benzamide
CID 90569406
5-(furan-2-yl)-N-[[8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]-1,2-oxazole-3-carboxamide
CID 91632820
N-[[4-(dimethylamino)phenyl]methyl]-3-(tetrazol-1-yl)benzamide
CID 39192608
N-(3,3-diphenylpropyl)-3-(tetrazol-1-yl)benzamide
CID 26881046

Frequently Asked Questions

What is the IUPAC name of 3-(tetrazol-1-yl)-N-[[8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]benzamide?
The IUPAC name of 3-(tetrazol-1-yl)-N-[[8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]benzamide (CID 91819084) is 3-(tetrazol-1-yl)-N-[[8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]benzamide.
What is the SMILES notation for 3-(tetrazol-1-yl)-N-[[8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]benzamide?
The canonical SMILES for 3-(tetrazol-1-yl)-N-[[8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]benzamide is O=C(NCc1nnc2c(C(F)(F)F)cccn12)c1cccc(-n2cnnn2)c1.
What is the InChIKey of 3-(tetrazol-1-yl)-N-[[8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]benzamide?
The InChIKey is DNFBPDCHSJJKPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11F3N8O/c17-16(18,19)12-5-2-6-26-13(22-23-14(12)26)8-20-15(28)10-3-1-4-11(7-10)27-9-21-24-25-27/h1-7,9H,8H2,(H,20,28).
What are the key properties of 3-(tetrazol-1-yl)-N-[[8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]benzamide?
3-(tetrazol-1-yl)-N-[[8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]benzamide has a molecular weight of 388.31 g/mol, XLogP of 1.65, 4 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-[[8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]benzamide is sourced from PubChem (CID 91819084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).