4-[1-benzyl-5-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-1,2,4-triazol-3-yl]benzamide

C22H21N7O — CID 154565021

IUPAC4-[1-benzyl-5-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-1,2,4-triazol-3-yl]benzamide
SMILESNC(=O)c1ccc(-c2nc(C3CCc4ncnn4C3)n(Cc3ccccc3)n2)cc1
InChIInChI=1S/C22H21N7O/c23-20(30)16-6-8-17(9-7-16)21-26-22(18-10-11-19-24-14-25-28(19)13-18)29(27-21)12-15-4-2-1-3-5-15/h1-9,14,18H,10-13H2,(H2,23,30)
InChIKeyUIXAMXYTAGXYAM-UHFFFAOYSA-N
MW399.46 g/mol
LogP2.41
Rot. Bonds5

About 4-[1-benzyl-5-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-1,2,4-triazol-3-yl]benzamide

4-[1-benzyl-5-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-1,2,4-triazol-3-yl]benzamide (PubChem CID 154565021) has the molecular formula C22H21N7O and a molecular weight of 399.46 g/mol. Its IUPAC name is 4-[1-benzyl-5-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-1,2,4-triazol-3-yl]benzamide.

Molecular Properties

Compound Name4-[1-benzyl-5-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-1,2,4-triazol-3-yl]benzamide
PubChem CID154565021
Molecular FormulaC22H21N7O
Molecular Weight399.46 g/mol
Exact Mass399.18
IUPAC Name4-[1-benzyl-5-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-1,2,4-triazol-3-yl]benzamide
SMILESNC(=O)c1ccc(-c2nc(C3CCc4ncnn4C3)n(Cc3ccccc3)n2)cc1
InChIInChI=1S/C22H21N7O/c23-20(30)16-6-8-17(9-7-16)21-26-22(18-10-11-19-24-14-25-28(19)13-18)29(27-21)12-15-4-2-1-3-5-15/h1-9,14,18H,10-13H2,(H2,23,30)
InChIKeyUIXAMXYTAGXYAM-UHFFFAOYSA-N
XLogP2.41
TPSA104.51 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.46
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 4-[1-benzyl-5-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-1,2,4-triazol-3-yl]benzamide with MolForge

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Related Compounds

2-[3-pyridin-2-yl-5-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-1,2,4-triazol-1-yl]acetic acid
CID 154563353
formic acid;2-[1-(2-phenylethyl)-5-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-1,2,4-triazol-3-yl]acetamide
CID 155937887
6-[2-(1-methylpyrazol-4-yl)-5-phenyl-1,2,4-triazol-3-yl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine
CID 146039084
3-(2-benzyl-5-phenyl-1,2,4-triazol-3-yl)thiane 1,1-dioxide
CID 72868794
4-[1-benzyl-5-(1-methylpiperidin-3-yl)-1,2,4-triazol-3-yl]pyridine
CID 72881047
N-(1-benzyltetrazol-5-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine
CID 167992772
N-[(2-phenylpyrimidin-5-yl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine
CID 56780041
2-[1-(1-methylpyrazol-4-yl)-5-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-1,2,4-triazol-3-yl]acetamide
CID 154819491
5-(1-benzyl-5-cyclopropyl-1,2,4-triazol-3-yl)-3-(4-methylphenyl)-1,2,4-oxadiazole
CID 158385199
4-[5-[(1S,3R,4R)-3-amino-4-hydroxycyclohexyl]-1-butyl-1,2,4-triazol-3-yl]benzamide
CID 155499039
4-[5-[(1S,3R,4R)-3-amino-4-hydroxycyclohexyl]-1-butyl-1,2,4-triazol-3-yl]benzamide;hydrochloride
CID 155939017
N-benzyl-N-(2-hydroxyethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-6-carboxamide
CID 154564345

Frequently Asked Questions

What is the IUPAC name of 4-[1-benzyl-5-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-1,2,4-triazol-3-yl]benzamide?
The IUPAC name of 4-[1-benzyl-5-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-1,2,4-triazol-3-yl]benzamide (CID 154565021) is 4-[1-benzyl-5-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-1,2,4-triazol-3-yl]benzamide.
What is the SMILES notation for 4-[1-benzyl-5-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-1,2,4-triazol-3-yl]benzamide?
The canonical SMILES for 4-[1-benzyl-5-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-1,2,4-triazol-3-yl]benzamide is NC(=O)c1ccc(-c2nc(C3CCc4ncnn4C3)n(Cc3ccccc3)n2)cc1.
What is the InChIKey of 4-[1-benzyl-5-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-1,2,4-triazol-3-yl]benzamide?
The InChIKey is UIXAMXYTAGXYAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N7O/c23-20(30)16-6-8-17(9-7-16)21-26-22(18-10-11-19-24-14-25-28(19)13-18)29(27-21)12-15-4-2-1-3-5-15/h1-9,14,18H,10-13H2,(H2,23,30).
What are the key properties of 4-[1-benzyl-5-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-1,2,4-triazol-3-yl]benzamide?
4-[1-benzyl-5-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-1,2,4-triazol-3-yl]benzamide has a molecular weight of 399.46 g/mol, XLogP of 2.41, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-benzyl-5-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-1,2,4-triazol-3-yl]benzamide is sourced from PubChem (CID 154565021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).