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

C21H24N8 — CID 18701303

IUPAC2-[(2,5-dipropyl-1,2,4-triazol-3-yl)methyl]-5-[2-(2H-tetrazol-5-yl)phenyl]pyridine
SMILESCCCc1nc(Cc2ccc(-c3ccccc3-c3nn[nH]n3)cn2)n(CCC)n1
InChIInChI=1S/C21H24N8/c1-3-7-19-23-20(29(26-19)12-4-2)13-16-11-10-15(14-22-16)17-8-5-6-9-18(17)21-24-27-28-25-21/h5-6,8-11,14H,3-4,7,12-13H2,1-2H3,(H,24,25,27,28)
InChIKeyRZOIMASBWZQVLS-UHFFFAOYSA-N
MW388.48 g/mol
LogP3.47
Rot. Bonds8

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

2-[(2,5-dipropyl-1,2,4-triazol-3-yl)methyl]-5-[2-(2H-tetrazol-5-yl)phenyl]pyridine (PubChem CID 18701303) has the molecular formula C21H24N8 and a molecular weight of 388.48 g/mol. Its IUPAC name is 2-[(2,5-dipropyl-1,2,4-triazol-3-yl)methyl]-5-[2-(2H-tetrazol-5-yl)phenyl]pyridine.

Molecular Properties

Compound Name2-[(2,5-dipropyl-1,2,4-triazol-3-yl)methyl]-5-[2-(2H-tetrazol-5-yl)phenyl]pyridine
PubChem CID18701303
Molecular FormulaC21H24N8
Molecular Weight388.48 g/mol
Exact Mass388.21
IUPAC Name2-[(2,5-dipropyl-1,2,4-triazol-3-yl)methyl]-5-[2-(2H-tetrazol-5-yl)phenyl]pyridine
SMILESCCCc1nc(Cc2ccc(-c3ccccc3-c3nn[nH]n3)cn2)n(CCC)n1
InChIInChI=1S/C21H24N8/c1-3-7-19-23-20(29(26-19)12-4-2)13-16-11-10-15(14-22-16)17-8-5-6-9-18(17)21-24-27-28-25-21/h5-6,8-11,14H,3-4,7,12-13H2,1-2H3,(H,24,25,27,28)
InChIKeyRZOIMASBWZQVLS-UHFFFAOYSA-N
XLogP3.47
TPSA98.06 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.48
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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

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Related Compounds

2-[[2-butyl-5-(cyclohexylmethyl)-1,2,4-triazol-3-yl]methyl]-5-[2-(2H-tetrazol-5-yl)phenyl]pyridine
CID 18700800
1-[1-pentyl-5-[[5-[2-(2H-tetrazol-5-yl)phenyl]-2-pyridinyl]methyl]-1,2,4-triazol-3-yl]butan-1-one
CID 18701154
2-[(3-phenyl-5-propyl-1,2,4-triazol-1-yl)methyl]-5-[2-(2H-tetrazol-5-yl)phenyl]pyridine
CID 19976675
2-[(3-methyl-5-propyl-1,2,4-triazol-1-yl)methyl]-5-[2-(2H-tetrazol-5-yl)phenyl]pyridine
CID 19976717
3-[4-[(2,5-dipropyl-1,2,4-triazol-3-yl)methyl]phenyl]-2-(2H-tetrazol-5-yl)pyridine
CID 18700558
2-[(3-propan-2-yl-5-propyl-1,2,4-triazol-1-yl)methyl]-5-[2-(2H-tetrazol-5-yl)phenyl]pyridine
CID 19976270
1-[5-propyl-1-[[5-[2-(2H-tetrazol-5-yl)phenyl]-2-pyridinyl]methyl]-1,2,4-triazol-3-yl]propan-1-one
CID 19976407
2-[6-[(5-ethyl-2-propyl-1,2,4-triazol-3-yl)methyl]-3-pyridinyl]benzoic acid
CID 18701425
phenyl-[5-propyl-1-[[5-[2-(2H-tetrazol-5-yl)phenyl]-2-pyridinyl]methyl]-1,2,4-triazol-3-yl]methanone
CID 19976381
1-[1-butyl-5-[[5-[2-(2H-tetrazol-5-yl)phenyl]-2-pyridinyl]methyl]-1,2,4-triazol-3-yl]-2-cyclohexylethanone
CID 18700492
5-[2-[4-[(5-propoxy-2-propyl-1,2,4-triazol-3-yl)methyl]phenyl]phenyl]-2H-tetrazole
CID 19750479
5-[2-[4-[(5-ethyl-2-hexyl-1,2,4-triazol-3-yl)methyl]phenyl]phenyl]-2H-tetrazole
CID 19750559

Frequently Asked Questions

What is the IUPAC name of 2-[(2,5-dipropyl-1,2,4-triazol-3-yl)methyl]-5-[2-(2H-tetrazol-5-yl)phenyl]pyridine?
The IUPAC name of 2-[(2,5-dipropyl-1,2,4-triazol-3-yl)methyl]-5-[2-(2H-tetrazol-5-yl)phenyl]pyridine (CID 18701303) is 2-[(2,5-dipropyl-1,2,4-triazol-3-yl)methyl]-5-[2-(2H-tetrazol-5-yl)phenyl]pyridine.
What is the SMILES notation for 2-[(2,5-dipropyl-1,2,4-triazol-3-yl)methyl]-5-[2-(2H-tetrazol-5-yl)phenyl]pyridine?
The canonical SMILES for 2-[(2,5-dipropyl-1,2,4-triazol-3-yl)methyl]-5-[2-(2H-tetrazol-5-yl)phenyl]pyridine is CCCc1nc(Cc2ccc(-c3ccccc3-c3nn[nH]n3)cn2)n(CCC)n1.
What is the InChIKey of 2-[(2,5-dipropyl-1,2,4-triazol-3-yl)methyl]-5-[2-(2H-tetrazol-5-yl)phenyl]pyridine?
The InChIKey is RZOIMASBWZQVLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N8/c1-3-7-19-23-20(29(26-19)12-4-2)13-16-11-10-15(14-22-16)17-8-5-6-9-18(17)21-24-27-28-25-21/h5-6,8-11,14H,3-4,7,12-13H2,1-2H3,(H,24,25,27,28).
What are the key properties of 2-[(2,5-dipropyl-1,2,4-triazol-3-yl)methyl]-5-[2-(2H-tetrazol-5-yl)phenyl]pyridine?
2-[(2,5-dipropyl-1,2,4-triazol-3-yl)methyl]-5-[2-(2H-tetrazol-5-yl)phenyl]pyridine has a molecular weight of 388.48 g/mol, XLogP of 3.47, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,5-dipropyl-1,2,4-triazol-3-yl)methyl]-5-[2-(2H-tetrazol-5-yl)phenyl]pyridine is sourced from PubChem (CID 18701303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).