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

C27H28N8 — CID 19976374

IUPAC5-[(3-benzyl-5-pentyl-1,2,4-triazol-1-yl)methyl]-2-[2-(2H-tetrazol-5-yl)phenyl]pyridine
SMILESCCCCCc1nc(Cc2ccccc2)nn1Cc1ccc(-c2ccccc2-c2nn[nH]n2)nc1
InChIInChI=1S/C27H28N8/c1-2-3-5-14-26-29-25(17-20-10-6-4-7-11-20)32-35(26)19-21-15-16-24(28-18-21)22-12-8-9-13-23(22)27-30-33-34-31-27/h4,6-13,15-16,18H,2-3,5,14,17,19H2,1H3,(H,30,31,33,34)
InChIKeySZEDCSMDKYFYSB-UHFFFAOYSA-N
MW464.58 g/mol
LogP4.89
Rot. Bonds10

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

5-[(3-benzyl-5-pentyl-1,2,4-triazol-1-yl)methyl]-2-[2-(2H-tetrazol-5-yl)phenyl]pyridine (PubChem CID 19976374) has the molecular formula C27H28N8 and a molecular weight of 464.58 g/mol. Its IUPAC name is 5-[(3-benzyl-5-pentyl-1,2,4-triazol-1-yl)methyl]-2-[2-(2H-tetrazol-5-yl)phenyl]pyridine.

Molecular Properties

Compound Name5-[(3-benzyl-5-pentyl-1,2,4-triazol-1-yl)methyl]-2-[2-(2H-tetrazol-5-yl)phenyl]pyridine
PubChem CID19976374
Molecular FormulaC27H28N8
Molecular Weight464.58 g/mol
Exact Mass464.24
IUPAC Name5-[(3-benzyl-5-pentyl-1,2,4-triazol-1-yl)methyl]-2-[2-(2H-tetrazol-5-yl)phenyl]pyridine
SMILESCCCCCc1nc(Cc2ccccc2)nn1Cc1ccc(-c2ccccc2-c2nn[nH]n2)nc1
InChIInChI=1S/C27H28N8/c1-2-3-5-14-26-29-25(17-20-10-6-4-7-11-20)32-35(26)19-21-15-16-24(28-18-21)22-12-8-9-13-23(22)27-30-33-34-31-27/h4,6-13,15-16,18H,2-3,5,14,17,19H2,1H3,(H,30,31,33,34)
InChIKeySZEDCSMDKYFYSB-UHFFFAOYSA-N
XLogP4.89
TPSA98.06 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.58
LogP ≤ 54.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 5-[(3-benzyl-5-pentyl-1,2,4-triazol-1-yl)methyl]-2-[2-(2H-tetrazol-5-yl)phenyl]pyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-[(5-pentyl-3-propyl-1,2,4-triazol-1-yl)methyl]-2-[2-(2H-tetrazol-5-yl)phenyl]pyridine
CID 19976156
5-[[3-(2-methylpropyl)-5-pentyl-1,2,4-triazol-1-yl]methyl]-2-[2-(2H-tetrazol-5-yl)phenyl]pyridine
CID 19976873
5-[(5-butyl-3-ethyl-1,2,4-triazol-1-yl)methyl]-2-[2-(2H-tetrazol-5-yl)phenyl]pyridine
CID 19976631
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-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-[(5-benzyl-2-pentyl-1,2,4-triazol-3-yl)methyl]-2-[2-(2H-tetrazol-5-yl)phenyl]pyridine
CID 18701272
5-[(5-butyl-3-phenyl-1,2,4-triazol-1-yl)methyl]-2-[2-(2H-tetrazol-5-yl)phenyl]pyridine
CID 19976756
5-[[3-(cyclohexylmethyl)-5-pentyl-1,2,4-triazol-1-yl]methyl]-2-[2-(2H-tetrazol-5-yl)phenyl]pyridine
CID 19976395
5-[[3-(2-cyclohexylethyl)-5-pentyl-1,2,4-triazol-1-yl]methyl]-2-[2-(2H-tetrazol-5-yl)phenyl]pyridine
CID 19976793
5-[2-[4-[(5-pentyl-3-propyl-1,2,4-triazol-1-yl)methyl]phenyl]phenyl]-2H-tetrazole
CID 19903551
5-[2-[4-[(3,5-dipentyl-1,2,4-triazol-1-yl)methyl]phenyl]phenyl]-2H-tetrazole
CID 19903608

Frequently Asked Questions

What is the IUPAC name of 5-[(3-benzyl-5-pentyl-1,2,4-triazol-1-yl)methyl]-2-[2-(2H-tetrazol-5-yl)phenyl]pyridine?
The IUPAC name of 5-[(3-benzyl-5-pentyl-1,2,4-triazol-1-yl)methyl]-2-[2-(2H-tetrazol-5-yl)phenyl]pyridine (CID 19976374) is 5-[(3-benzyl-5-pentyl-1,2,4-triazol-1-yl)methyl]-2-[2-(2H-tetrazol-5-yl)phenyl]pyridine.
What is the SMILES notation for 5-[(3-benzyl-5-pentyl-1,2,4-triazol-1-yl)methyl]-2-[2-(2H-tetrazol-5-yl)phenyl]pyridine?
The canonical SMILES for 5-[(3-benzyl-5-pentyl-1,2,4-triazol-1-yl)methyl]-2-[2-(2H-tetrazol-5-yl)phenyl]pyridine is CCCCCc1nc(Cc2ccccc2)nn1Cc1ccc(-c2ccccc2-c2nn[nH]n2)nc1.
What is the InChIKey of 5-[(3-benzyl-5-pentyl-1,2,4-triazol-1-yl)methyl]-2-[2-(2H-tetrazol-5-yl)phenyl]pyridine?
The InChIKey is SZEDCSMDKYFYSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28N8/c1-2-3-5-14-26-29-25(17-20-10-6-4-7-11-20)32-35(26)19-21-15-16-24(28-18-21)22-12-8-9-13-23(22)27-30-33-34-31-27/h4,6-13,15-16,18H,2-3,5,14,17,19H2,1H3,(H,30,31,33,34).
What are the key properties of 5-[(3-benzyl-5-pentyl-1,2,4-triazol-1-yl)methyl]-2-[2-(2H-tetrazol-5-yl)phenyl]pyridine?
5-[(3-benzyl-5-pentyl-1,2,4-triazol-1-yl)methyl]-2-[2-(2H-tetrazol-5-yl)phenyl]pyridine has a molecular weight of 464.58 g/mol, XLogP of 4.89, 10 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-benzyl-5-pentyl-1,2,4-triazol-1-yl)methyl]-2-[2-(2H-tetrazol-5-yl)phenyl]pyridine is sourced from PubChem (CID 19976374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).