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

C24H30N8 — CID 19976873

IUPAC5-[[3-(2-methylpropyl)-5-pentyl-1,2,4-triazol-1-yl]methyl]-2-[2-(2H-tetrazol-5-yl)phenyl]pyridine
SMILESCCCCCc1nc(CC(C)C)nn1Cc1ccc(-c2ccccc2-c2nn[nH]n2)nc1
InChIInChI=1S/C24H30N8/c1-4-5-6-11-23-26-22(14-17(2)3)29-32(23)16-18-12-13-21(25-15-18)19-9-7-8-10-20(19)24-27-30-31-28-24/h7-10,12-13,15,17H,4-6,11,14,16H2,1-3H3,(H,27,28,30,31)
InChIKeyJXVMKZHGGNEZSM-UHFFFAOYSA-N
MW430.56 g/mol
LogP4.50
Rot. Bonds10

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

5-[[3-(2-methylpropyl)-5-pentyl-1,2,4-triazol-1-yl]methyl]-2-[2-(2H-tetrazol-5-yl)phenyl]pyridine (PubChem CID 19976873) has the molecular formula C24H30N8 and a molecular weight of 430.56 g/mol. Its IUPAC name is 5-[[3-(2-methylpropyl)-5-pentyl-1,2,4-triazol-1-yl]methyl]-2-[2-(2H-tetrazol-5-yl)phenyl]pyridine.

Molecular Properties

Compound Name5-[[3-(2-methylpropyl)-5-pentyl-1,2,4-triazol-1-yl]methyl]-2-[2-(2H-tetrazol-5-yl)phenyl]pyridine
PubChem CID19976873
Molecular FormulaC24H30N8
Molecular Weight430.56 g/mol
Exact Mass430.26
IUPAC Name5-[[3-(2-methylpropyl)-5-pentyl-1,2,4-triazol-1-yl]methyl]-2-[2-(2H-tetrazol-5-yl)phenyl]pyridine
SMILESCCCCCc1nc(CC(C)C)nn1Cc1ccc(-c2ccccc2-c2nn[nH]n2)nc1
InChIInChI=1S/C24H30N8/c1-4-5-6-11-23-26-22(14-17(2)3)29-32(23)16-18-12-13-21(25-15-18)19-9-7-8-10-20(19)24-27-30-31-28-24/h7-10,12-13,15,17H,4-6,11,14,16H2,1-3H3,(H,27,28,30,31)
InChIKeyJXVMKZHGGNEZSM-UHFFFAOYSA-N
XLogP4.50
TPSA98.06 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.56
LogP ≤ 54.50
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-[(5-pentyl-3-propyl-1,2,4-triazol-1-yl)methyl]-2-[2-(2H-tetrazol-5-yl)phenyl]pyridine
CID 19976156
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-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-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-[[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-phenyl-1,2,4-triazol-1-yl)methyl]-2-[2-(2H-tetrazol-5-yl)phenyl]pyridine
CID 19976756
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
5-[(5-butyl-1,2,4-triazol-1-yl)methyl]-2-[2-(2H-tetrazol-5-yl)phenyl]pyridine;pentane
CID 143417079

Frequently Asked Questions

What is the IUPAC name of 5-[[3-(2-methylpropyl)-5-pentyl-1,2,4-triazol-1-yl]methyl]-2-[2-(2H-tetrazol-5-yl)phenyl]pyridine?
The IUPAC name of 5-[[3-(2-methylpropyl)-5-pentyl-1,2,4-triazol-1-yl]methyl]-2-[2-(2H-tetrazol-5-yl)phenyl]pyridine (CID 19976873) is 5-[[3-(2-methylpropyl)-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-(2-methylpropyl)-5-pentyl-1,2,4-triazol-1-yl]methyl]-2-[2-(2H-tetrazol-5-yl)phenyl]pyridine?
The canonical SMILES for 5-[[3-(2-methylpropyl)-5-pentyl-1,2,4-triazol-1-yl]methyl]-2-[2-(2H-tetrazol-5-yl)phenyl]pyridine is CCCCCc1nc(CC(C)C)nn1Cc1ccc(-c2ccccc2-c2nn[nH]n2)nc1.
What is the InChIKey of 5-[[3-(2-methylpropyl)-5-pentyl-1,2,4-triazol-1-yl]methyl]-2-[2-(2H-tetrazol-5-yl)phenyl]pyridine?
The InChIKey is JXVMKZHGGNEZSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N8/c1-4-5-6-11-23-26-22(14-17(2)3)29-32(23)16-18-12-13-21(25-15-18)19-9-7-8-10-20(19)24-27-30-31-28-24/h7-10,12-13,15,17H,4-6,11,14,16H2,1-3H3,(H,27,28,30,31).
What are the key properties of 5-[[3-(2-methylpropyl)-5-pentyl-1,2,4-triazol-1-yl]methyl]-2-[2-(2H-tetrazol-5-yl)phenyl]pyridine?
5-[[3-(2-methylpropyl)-5-pentyl-1,2,4-triazol-1-yl]methyl]-2-[2-(2H-tetrazol-5-yl)phenyl]pyridine has a molecular weight of 430.56 g/mol, XLogP of 4.50, 10 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[3-(2-methylpropyl)-5-pentyl-1,2,4-triazol-1-yl]methyl]-2-[2-(2H-tetrazol-5-yl)phenyl]pyridine is sourced from PubChem (CID 19976873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).