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

C26H32N8 — CID 18700800

IUPAC2-[[2-butyl-5-(cyclohexylmethyl)-1,2,4-triazol-3-yl]methyl]-5-[2-(2H-tetrazol-5-yl)phenyl]pyridine
SMILESCCCCn1nc(CC2CCCCC2)nc1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cn1
InChIInChI=1S/C26H32N8/c1-2-3-15-34-25(28-24(31-34)16-19-9-5-4-6-10-19)17-21-14-13-20(18-27-21)22-11-7-8-12-23(22)26-29-32-33-30-26/h7-8,11-14,18-19H,2-6,9-10,15-17H2,1H3,(H,29,30,32,33)
InChIKeyWWHVFHIZSMPDDQ-UHFFFAOYSA-N
MW456.60 g/mol
LogP5.03
Rot. Bonds9

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

2-[[2-butyl-5-(cyclohexylmethyl)-1,2,4-triazol-3-yl]methyl]-5-[2-(2H-tetrazol-5-yl)phenyl]pyridine (PubChem CID 18700800) has the molecular formula C26H32N8 and a molecular weight of 456.60 g/mol. Its IUPAC name is 2-[[2-butyl-5-(cyclohexylmethyl)-1,2,4-triazol-3-yl]methyl]-5-[2-(2H-tetrazol-5-yl)phenyl]pyridine.

Molecular Properties

Compound Name2-[[2-butyl-5-(cyclohexylmethyl)-1,2,4-triazol-3-yl]methyl]-5-[2-(2H-tetrazol-5-yl)phenyl]pyridine
PubChem CID18700800
Molecular FormulaC26H32N8
Molecular Weight456.60 g/mol
Exact Mass456.27
IUPAC Name2-[[2-butyl-5-(cyclohexylmethyl)-1,2,4-triazol-3-yl]methyl]-5-[2-(2H-tetrazol-5-yl)phenyl]pyridine
SMILESCCCCn1nc(CC2CCCCC2)nc1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cn1
InChIInChI=1S/C26H32N8/c1-2-3-15-34-25(28-24(31-34)16-19-9-5-4-6-10-19)17-21-14-13-20(18-27-21)22-11-7-8-12-23(22)26-29-32-33-30-26/h7-8,11-14,18-19H,2-6,9-10,15-17H2,1H3,(H,29,30,32,33)
InChIKeyWWHVFHIZSMPDDQ-UHFFFAOYSA-N
XLogP5.03
TPSA98.06 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500456.60
LogP ≤ 55.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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

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Related Compounds

1-[1-butyl-5-[[5-[2-(2H-tetrazol-5-yl)phenyl]-2-pyridinyl]methyl]-1,2,4-triazol-3-yl]-2-cyclohexylethanone
CID 18700492
2-[(2,5-dipropyl-1,2,4-triazol-3-yl)methyl]-5-[2-(2H-tetrazol-5-yl)phenyl]pyridine
CID 18701303
3-[4-[[2-butyl-5-(cyclohexylmethyl)-1,2,4-triazol-3-yl]methyl]phenyl]-2-(2H-tetrazol-5-yl)pyridine
CID 15292566
2-[4-[[5-(cyclohexylmethyl)-2-pentyl-1,2,4-triazol-3-yl]methyl]phenyl]-3-(2H-tetrazol-5-yl)pyridine
CID 18700766
5-[2-[4-[[5-(2-cyclohexylethyl)-2-pentyl-1,2,4-triazol-3-yl]methyl]phenyl]phenyl]-2H-tetrazole
CID 19750491
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
5-[[3-(cyclohexylmethyl)-5-pentyl-1,2,4-triazol-1-yl]methyl]-2-[2-(2H-tetrazol-5-yl)phenyl]pyridine
CID 19976395
2-[4-[[5-(cyclohexylmethyl)-2-hexyl-1,2,4-triazol-3-yl]methyl]phenyl]benzoic acid
CID 19750490
5-[2-[4-[(5-ethyl-2-hexyl-1,2,4-triazol-3-yl)methyl]phenyl]phenyl]-2H-tetrazole
CID 19750559
2-[6-[(2-butyl-5-pentyl-1,2,4-triazol-3-yl)methyl]-3-pyridinyl]benzoic acid
CID 18701245
5-[(5-ethyl-2-pentyl-1,2,4-triazol-3-yl)methyl]-2-[2-(2H-tetrazol-5-yl)phenyl]pyridine
CID 18701424
5-[[3-(2-cyclohexylethyl)-5-pentyl-1,2,4-triazol-1-yl]methyl]-2-[2-(2H-tetrazol-5-yl)phenyl]pyridine
CID 19976793

Frequently Asked Questions

What is the IUPAC name of 2-[[2-butyl-5-(cyclohexylmethyl)-1,2,4-triazol-3-yl]methyl]-5-[2-(2H-tetrazol-5-yl)phenyl]pyridine?
The IUPAC name of 2-[[2-butyl-5-(cyclohexylmethyl)-1,2,4-triazol-3-yl]methyl]-5-[2-(2H-tetrazol-5-yl)phenyl]pyridine (CID 18700800) is 2-[[2-butyl-5-(cyclohexylmethyl)-1,2,4-triazol-3-yl]methyl]-5-[2-(2H-tetrazol-5-yl)phenyl]pyridine.
What is the SMILES notation for 2-[[2-butyl-5-(cyclohexylmethyl)-1,2,4-triazol-3-yl]methyl]-5-[2-(2H-tetrazol-5-yl)phenyl]pyridine?
The canonical SMILES for 2-[[2-butyl-5-(cyclohexylmethyl)-1,2,4-triazol-3-yl]methyl]-5-[2-(2H-tetrazol-5-yl)phenyl]pyridine is CCCCn1nc(CC2CCCCC2)nc1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cn1.
What is the InChIKey of 2-[[2-butyl-5-(cyclohexylmethyl)-1,2,4-triazol-3-yl]methyl]-5-[2-(2H-tetrazol-5-yl)phenyl]pyridine?
The InChIKey is WWHVFHIZSMPDDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32N8/c1-2-3-15-34-25(28-24(31-34)16-19-9-5-4-6-10-19)17-21-14-13-20(18-27-21)22-11-7-8-12-23(22)26-29-32-33-30-26/h7-8,11-14,18-19H,2-6,9-10,15-17H2,1H3,(H,29,30,32,33).
What are the key properties of 2-[[2-butyl-5-(cyclohexylmethyl)-1,2,4-triazol-3-yl]methyl]-5-[2-(2H-tetrazol-5-yl)phenyl]pyridine?
2-[[2-butyl-5-(cyclohexylmethyl)-1,2,4-triazol-3-yl]methyl]-5-[2-(2H-tetrazol-5-yl)phenyl]pyridine has a molecular weight of 456.60 g/mol, XLogP of 5.03, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-butyl-5-(cyclohexylmethyl)-1,2,4-triazol-3-yl]methyl]-5-[2-(2H-tetrazol-5-yl)phenyl]pyridine is sourced from PubChem (CID 18700800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).