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

C24H28N8 — CID 19383190

IUPAC5-[(5-cyclohexyl-2-propyl-1,2,4-triazol-3-yl)methyl]-2-[2-(2H-tetrazol-5-yl)phenyl]pyridine
SMILESCCCn1nc(C2CCCCC2)nc1Cc1ccc(-c2ccccc2-c2nn[nH]n2)nc1
InChIInChI=1S/C24H28N8/c1-2-14-32-22(26-23(29-32)18-8-4-3-5-9-18)15-17-12-13-21(25-16-17)19-10-6-7-11-20(19)24-27-30-31-28-24/h6-7,10-13,16,18H,2-5,8-9,14-15H2,1H3,(H,27,28,30,31)
InChIKeyPMJPIDSDOXZFCS-UHFFFAOYSA-N
MW428.54 g/mol
LogP4.57
Rot. Bonds7

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

5-[(5-cyclohexyl-2-propyl-1,2,4-triazol-3-yl)methyl]-2-[2-(2H-tetrazol-5-yl)phenyl]pyridine (PubChem CID 19383190) has the molecular formula C24H28N8 and a molecular weight of 428.54 g/mol. Its IUPAC name is 5-[(5-cyclohexyl-2-propyl-1,2,4-triazol-3-yl)methyl]-2-[2-(2H-tetrazol-5-yl)phenyl]pyridine.

Molecular Properties

Compound Name5-[(5-cyclohexyl-2-propyl-1,2,4-triazol-3-yl)methyl]-2-[2-(2H-tetrazol-5-yl)phenyl]pyridine
PubChem CID19383190
Molecular FormulaC24H28N8
Molecular Weight428.54 g/mol
Exact Mass428.24
IUPAC Name5-[(5-cyclohexyl-2-propyl-1,2,4-triazol-3-yl)methyl]-2-[2-(2H-tetrazol-5-yl)phenyl]pyridine
SMILESCCCn1nc(C2CCCCC2)nc1Cc1ccc(-c2ccccc2-c2nn[nH]n2)nc1
InChIInChI=1S/C24H28N8/c1-2-14-32-22(26-23(29-32)18-8-4-3-5-9-18)15-17-12-13-21(25-16-17)19-10-6-7-11-20(19)24-27-30-31-28-24/h6-7,10-13,16,18H,2-5,8-9,14-15H2,1H3,(H,27,28,30,31)
InChIKeyPMJPIDSDOXZFCS-UHFFFAOYSA-N
XLogP4.57
TPSA98.06 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.54
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

5-[(5-ethyl-2-pentyl-1,2,4-triazol-3-yl)methyl]-2-[2-(2H-tetrazol-5-yl)phenyl]pyridine
CID 18701424
5-[(5-benzyl-2-pentyl-1,2,4-triazol-3-yl)methyl]-2-[2-(2H-tetrazol-5-yl)phenyl]pyridine
CID 18701272
5-[[2-butyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]methyl]-2-[2-(2H-tetrazol-5-yl)phenyl]pyridine
CID 20604698
5-[[3-(cyclohexylmethyl)-5-pentyl-1,2,4-triazol-1-yl]methyl]-2-[2-(2H-tetrazol-5-yl)phenyl]pyridine
CID 19976395
5-[[2-butyl-5-[(E)-2-thiophen-2-ylethenyl]-1,2,4-triazol-3-yl]methyl]-2-[2-(2H-tetrazol-5-yl)phenyl]pyridine
CID 15291279
5-[2-[4-[(5-but-2-ynyl-3-cyclohexyl-1,2,4-triazol-1-yl)methyl]phenyl]phenyl]-2H-tetrazole
CID 19904170
5-[[3-(2-cyclohexylethyl)-5-pentyl-1,2,4-triazol-1-yl]methyl]-2-[2-(2H-tetrazol-5-yl)phenyl]pyridine
CID 19976793
1-propyl-5-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-1,2,4-triazole-3-carbothialdehyde
CID 19750419
5-[(3,5-dipropyl-1,2,4-triazol-1-yl)methyl]-2-[2-(2H-tetrazol-5-yl)phenyl]pyridine
CID 19976574
5-[2-[4-[(5-propoxy-2-propyl-1,2,4-triazol-3-yl)methyl]phenyl]phenyl]-2H-tetrazole
CID 19750479
5-[2-[4-[[5-(2-cyclohexylethyl)-2-pentyl-1,2,4-triazol-3-yl]methyl]phenyl]phenyl]-2H-tetrazole
CID 19750491
5-[(3-butyl-5-propyl-1,2,4-triazol-1-yl)methyl]-2-[2-(2H-tetrazol-5-yl)phenyl]pyridine
CID 19976461

Frequently Asked Questions

What is the IUPAC name of 5-[(5-cyclohexyl-2-propyl-1,2,4-triazol-3-yl)methyl]-2-[2-(2H-tetrazol-5-yl)phenyl]pyridine?
The IUPAC name of 5-[(5-cyclohexyl-2-propyl-1,2,4-triazol-3-yl)methyl]-2-[2-(2H-tetrazol-5-yl)phenyl]pyridine (CID 19383190) is 5-[(5-cyclohexyl-2-propyl-1,2,4-triazol-3-yl)methyl]-2-[2-(2H-tetrazol-5-yl)phenyl]pyridine.
What is the SMILES notation for 5-[(5-cyclohexyl-2-propyl-1,2,4-triazol-3-yl)methyl]-2-[2-(2H-tetrazol-5-yl)phenyl]pyridine?
The canonical SMILES for 5-[(5-cyclohexyl-2-propyl-1,2,4-triazol-3-yl)methyl]-2-[2-(2H-tetrazol-5-yl)phenyl]pyridine is CCCn1nc(C2CCCCC2)nc1Cc1ccc(-c2ccccc2-c2nn[nH]n2)nc1.
What is the InChIKey of 5-[(5-cyclohexyl-2-propyl-1,2,4-triazol-3-yl)methyl]-2-[2-(2H-tetrazol-5-yl)phenyl]pyridine?
The InChIKey is PMJPIDSDOXZFCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N8/c1-2-14-32-22(26-23(29-32)18-8-4-3-5-9-18)15-17-12-13-21(25-16-17)19-10-6-7-11-20(19)24-27-30-31-28-24/h6-7,10-13,16,18H,2-5,8-9,14-15H2,1H3,(H,27,28,30,31).
What are the key properties of 5-[(5-cyclohexyl-2-propyl-1,2,4-triazol-3-yl)methyl]-2-[2-(2H-tetrazol-5-yl)phenyl]pyridine?
5-[(5-cyclohexyl-2-propyl-1,2,4-triazol-3-yl)methyl]-2-[2-(2H-tetrazol-5-yl)phenyl]pyridine has a molecular weight of 428.54 g/mol, XLogP of 4.57, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(5-cyclohexyl-2-propyl-1,2,4-triazol-3-yl)methyl]-2-[2-(2H-tetrazol-5-yl)phenyl]pyridine is sourced from PubChem (CID 19383190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).