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

C23H28N8 — CID 19976317

IUPAC4-[4-[(3,5-dibutyl-1,2,4-triazol-1-yl)methyl]phenyl]-3-(2H-tetrazol-5-yl)pyridine
SMILESCCCCc1nc(CCCC)n(Cc2ccc(-c3ccncc3-c3nn[nH]n3)cc2)n1
InChIInChI=1S/C23H28N8/c1-3-5-7-21-25-22(8-6-4-2)31(28-21)16-17-9-11-18(12-10-17)19-13-14-24-15-20(19)23-26-29-30-27-23/h9-15H,3-8,16H2,1-2H3,(H,26,27,29,30)
InChIKeyWYLPQXJUVNJGAJ-UHFFFAOYSA-N
MW416.53 g/mol
LogP4.25
Rot. Bonds10

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

4-[4-[(3,5-dibutyl-1,2,4-triazol-1-yl)methyl]phenyl]-3-(2H-tetrazol-5-yl)pyridine (PubChem CID 19976317) has the molecular formula C23H28N8 and a molecular weight of 416.53 g/mol. Its IUPAC name is 4-[4-[(3,5-dibutyl-1,2,4-triazol-1-yl)methyl]phenyl]-3-(2H-tetrazol-5-yl)pyridine.

Molecular Properties

Compound Name4-[4-[(3,5-dibutyl-1,2,4-triazol-1-yl)methyl]phenyl]-3-(2H-tetrazol-5-yl)pyridine
PubChem CID19976317
Molecular FormulaC23H28N8
Molecular Weight416.53 g/mol
Exact Mass416.24
IUPAC Name4-[4-[(3,5-dibutyl-1,2,4-triazol-1-yl)methyl]phenyl]-3-(2H-tetrazol-5-yl)pyridine
SMILESCCCCc1nc(CCCC)n(Cc2ccc(-c3ccncc3-c3nn[nH]n3)cc2)n1
InChIInChI=1S/C23H28N8/c1-3-5-7-21-25-22(8-6-4-2)31(28-21)16-17-9-11-18(12-10-17)19-13-14-24-15-20(19)23-26-29-30-27-23/h9-15H,3-8,16H2,1-2H3,(H,26,27,29,30)
InChIKeyWYLPQXJUVNJGAJ-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

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

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Related Compounds

Forasartan
CID 132706
2,7-diethyl-5-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]pyrazolo[1,5-b][1,2,4]triazole
CID 9801006
4-[6-(4-Methylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]pyridine
CID 5329456
Pyrazolo[1,5-a]pyrimidine, 3-phenyl-6-(4-pyridinyl)-
CID 5329460
4-[3-(Cyclopent-1-en-1-yl)pyrazolo[1,5-a]pyrimidin-6-yl]pyridine
CID 5329473
4-[3-(Cyclohex-1-en-1-yl)pyrazolo[1,5-a]pyrimidin-6-yl]pyridine
CID 5329474
3-[3-(4-Pyridinyl)-1H-1,2,4-triazol-5-yl]pyridine
CID 918281
1-[(4-Methylphenyl)methyl]-4-(1-pyrrolidinyl)pyrazolo[3,4-d]pyrimidine
CID 895441
2-(3,5-Dibutyl-[1,2,4]triazol-1-ylmethyl)-5-[2-(1H-tetrazol-5-yl)-phenyl]-pyridine
CID 9888159
5-Methyl-7-propyl-8-[2''-(1H-tetrazol-5-yl)-biphenyl-4-ylmethyl]-[1,2,4]triazolo[1,5-c]pyrimidine
CID 10001600
2-[4-[4-Benzyl-5-(triazol-2-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]pyridine
CID 10318802
2-[4-(4-Benzyl-5-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]pyridine
CID 10359487

Frequently Asked Questions

What is the IUPAC name of 4-[4-[(3,5-dibutyl-1,2,4-triazol-1-yl)methyl]phenyl]-3-(2H-tetrazol-5-yl)pyridine?
The IUPAC name of 4-[4-[(3,5-dibutyl-1,2,4-triazol-1-yl)methyl]phenyl]-3-(2H-tetrazol-5-yl)pyridine (CID 19976317) is 4-[4-[(3,5-dibutyl-1,2,4-triazol-1-yl)methyl]phenyl]-3-(2H-tetrazol-5-yl)pyridine.
What is the SMILES notation for 4-[4-[(3,5-dibutyl-1,2,4-triazol-1-yl)methyl]phenyl]-3-(2H-tetrazol-5-yl)pyridine?
The canonical SMILES for 4-[4-[(3,5-dibutyl-1,2,4-triazol-1-yl)methyl]phenyl]-3-(2H-tetrazol-5-yl)pyridine is CCCCc1nc(CCCC)n(Cc2ccc(-c3ccncc3-c3nn[nH]n3)cc2)n1.
What is the InChIKey of 4-[4-[(3,5-dibutyl-1,2,4-triazol-1-yl)methyl]phenyl]-3-(2H-tetrazol-5-yl)pyridine?
The InChIKey is WYLPQXJUVNJGAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N8/c1-3-5-7-21-25-22(8-6-4-2)31(28-21)16-17-9-11-18(12-10-17)19-13-14-24-15-20(19)23-26-29-30-27-23/h9-15H,3-8,16H2,1-2H3,(H,26,27,29,30).
What are the key properties of 4-[4-[(3,5-dibutyl-1,2,4-triazol-1-yl)methyl]phenyl]-3-(2H-tetrazol-5-yl)pyridine?
4-[4-[(3,5-dibutyl-1,2,4-triazol-1-yl)methyl]phenyl]-3-(2H-tetrazol-5-yl)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 4-[4-[(3,5-dibutyl-1,2,4-triazol-1-yl)methyl]phenyl]-3-(2H-tetrazol-5-yl)pyridine is sourced from PubChem (CID 19976317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).