5-[(5-pentyl-3-propyl-1,2,4-triazol-1-yl)methyl]-2-[2-(2H-tetrazol-5-yl)phenyl]pyridine

C23H28N8 — CID 19976156

IUPAC5-[(5-pentyl-3-propyl-1,2,4-triazol-1-yl)methyl]-2-[2-(2H-tetrazol-5-yl)phenyl]pyridine
SMILESCCCCCc1nc(CCC)nn1Cc1ccc(-c2ccccc2-c2nn[nH]n2)nc1
InChIInChI=1S/C23H28N8/c1-3-5-6-12-22-25-21(9-4-2)28-31(22)16-17-13-14-20(24-15-17)18-10-7-8-11-19(18)23-26-29-30-27-23/h7-8,10-11,13-15H,3-6,9,12,16H2,1-2H3,(H,26,27,29,30)
InChIKeyQPUOZSICZKFXAN-UHFFFAOYSA-N
MW416.53 g/mol
LogP4.25
Rot. Bonds10

About 5-[(5-pentyl-3-propyl-1,2,4-triazol-1-yl)methyl]-2-[2-(2H-tetrazol-5-yl)phenyl]pyridine

5-[(5-pentyl-3-propyl-1,2,4-triazol-1-yl)methyl]-2-[2-(2H-tetrazol-5-yl)phenyl]pyridine (PubChem CID 19976156) has the molecular formula C23H28N8 and a molecular weight of 416.53 g/mol. Its IUPAC name is 5-[(5-pentyl-3-propyl-1,2,4-triazol-1-yl)methyl]-2-[2-(2H-tetrazol-5-yl)phenyl]pyridine.

Molecular Properties

Compound Name5-[(5-pentyl-3-propyl-1,2,4-triazol-1-yl)methyl]-2-[2-(2H-tetrazol-5-yl)phenyl]pyridine
PubChem CID19976156
Molecular FormulaC23H28N8
Molecular Weight416.53 g/mol
Exact Mass416.24
IUPAC Name5-[(5-pentyl-3-propyl-1,2,4-triazol-1-yl)methyl]-2-[2-(2H-tetrazol-5-yl)phenyl]pyridine
SMILESCCCCCc1nc(CCC)nn1Cc1ccc(-c2ccccc2-c2nn[nH]n2)nc1
InChIInChI=1S/C23H28N8/c1-3-5-6-12-22-25-21(9-4-2)28-31(22)16-17-13-14-20(24-15-17)18-10-7-8-11-19(18)23-26-29-30-27-23/h7-8,10-11,13-15H,3-6,9,12,16H2,1-2H3,(H,26,27,29,30)
InChIKeyQPUOZSICZKFXAN-UHFFFAOYSA-N
XLogP4.25
TPSA98.06 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.53
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

5-[(3-butyl-5-propyl-1,2,4-triazol-1-yl)methyl]-2-[2-(2H-tetrazol-5-yl)phenyl]pyridine
CID 19976461
5-[(3,5-dipropyl-1,2,4-triazol-1-yl)methyl]-2-[2-(2H-tetrazol-5-yl)phenyl]pyridine
CID 19976574
5-[[3-(2-methylpropyl)-5-pentyl-1,2,4-triazol-1-yl]methyl]-2-[2-(2H-tetrazol-5-yl)phenyl]pyridine
CID 19976873
5-[(3-benzyl-5-pentyl-1,2,4-triazol-1-yl)methyl]-2-[2-(2H-tetrazol-5-yl)phenyl]pyridine
CID 19976374
5-[(5-butyl-3-ethyl-1,2,4-triazol-1-yl)methyl]-2-[2-(2H-tetrazol-5-yl)phenyl]pyridine
CID 19976631
5-[[3-(2-cyclohexylethyl)-5-pentyl-1,2,4-triazol-1-yl]methyl]-2-[2-(2H-tetrazol-5-yl)phenyl]pyridine
CID 19976793
5-[[5-butyl-3-(2,2-dimethylpropyl)-1,2,4-triazol-1-yl]methyl]-2-[2-(2H-tetrazol-5-yl)phenyl]pyridine
CID 19976231
5-[[3-(cyclohexylmethyl)-5-pentyl-1,2,4-triazol-1-yl]methyl]-2-[2-(2H-tetrazol-5-yl)phenyl]pyridine
CID 19976395
5-[2-[4-[(5-pentyl-3-propyl-1,2,4-triazol-1-yl)methyl]phenyl]phenyl]-2H-tetrazole
CID 19903551
5-[(5-butyl-3-phenyl-1,2,4-triazol-1-yl)methyl]-2-[2-(2H-tetrazol-5-yl)phenyl]pyridine
CID 19976756
5-[2-[4-[(3,5-dipentyl-1,2,4-triazol-1-yl)methyl]phenyl]phenyl]-2H-tetrazole
CID 19903608
2-[4-[(5-pentyl-3-propyl-1,2,4-triazol-1-yl)methyl]phenyl]-3-(2H-tetrazol-5-yl)pyridine
CID 19976155

Frequently Asked Questions

What is the IUPAC name of 5-[(5-pentyl-3-propyl-1,2,4-triazol-1-yl)methyl]-2-[2-(2H-tetrazol-5-yl)phenyl]pyridine?
The IUPAC name of 5-[(5-pentyl-3-propyl-1,2,4-triazol-1-yl)methyl]-2-[2-(2H-tetrazol-5-yl)phenyl]pyridine (CID 19976156) is 5-[(5-pentyl-3-propyl-1,2,4-triazol-1-yl)methyl]-2-[2-(2H-tetrazol-5-yl)phenyl]pyridine.
What is the SMILES notation for 5-[(5-pentyl-3-propyl-1,2,4-triazol-1-yl)methyl]-2-[2-(2H-tetrazol-5-yl)phenyl]pyridine?
The canonical SMILES for 5-[(5-pentyl-3-propyl-1,2,4-triazol-1-yl)methyl]-2-[2-(2H-tetrazol-5-yl)phenyl]pyridine is CCCCCc1nc(CCC)nn1Cc1ccc(-c2ccccc2-c2nn[nH]n2)nc1.
What is the InChIKey of 5-[(5-pentyl-3-propyl-1,2,4-triazol-1-yl)methyl]-2-[2-(2H-tetrazol-5-yl)phenyl]pyridine?
The InChIKey is QPUOZSICZKFXAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N8/c1-3-5-6-12-22-25-21(9-4-2)28-31(22)16-17-13-14-20(24-15-17)18-10-7-8-11-19(18)23-26-29-30-27-23/h7-8,10-11,13-15H,3-6,9,12,16H2,1-2H3,(H,26,27,29,30).
What are the key properties of 5-[(5-pentyl-3-propyl-1,2,4-triazol-1-yl)methyl]-2-[2-(2H-tetrazol-5-yl)phenyl]pyridine?
5-[(5-pentyl-3-propyl-1,2,4-triazol-1-yl)methyl]-2-[2-(2H-tetrazol-5-yl)phenyl]pyridine has a molecular weight of 416.53 g/mol, XLogP of 4.25, 10 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(5-pentyl-3-propyl-1,2,4-triazol-1-yl)methyl]-2-[2-(2H-tetrazol-5-yl)phenyl]pyridine is sourced from PubChem (CID 19976156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).