3-[[5-(3-bicyclo[3.2.1]octanyl)-1-(2,5-dimethylphenyl)-1,2,4-triazol-3-yl]methyl]pyridine

C24H28N4 — CID 155965891

IUPAC3-[[5-(3-bicyclo[3.2.1]octanyl)-1-(2,5-dimethylphenyl)-1,2,4-triazol-3-yl]methyl]pyridine
SMILESCc1ccc(C)c(-n2nc(Cc3cccnc3)nc2C2CC3CCC(C3)C2)c1
InChIInChI=1S/C24H28N4/c1-16-5-6-17(2)22(10-16)28-24(21-12-18-7-8-19(11-18)13-21)26-23(27-28)14-20-4-3-9-25-15-20/h3-6,9-10,15,18-19,21H,7-8,11-14H2,1-2H3
InChIKeyCWTCUNNNKDYAJI-UHFFFAOYSA-N
MW372.52 g/mol
LogP5.16
Rot. Bonds4

About 3-[[5-(3-bicyclo[3.2.1]octanyl)-1-(2,5-dimethylphenyl)-1,2,4-triazol-3-yl]methyl]pyridine

3-[[5-(3-bicyclo[3.2.1]octanyl)-1-(2,5-dimethylphenyl)-1,2,4-triazol-3-yl]methyl]pyridine (PubChem CID 155965891) has the molecular formula C24H28N4 and a molecular weight of 372.52 g/mol. Its IUPAC name is 3-[[5-(3-bicyclo[3.2.1]octanyl)-1-(2,5-dimethylphenyl)-1,2,4-triazol-3-yl]methyl]pyridine.

Molecular Properties

Compound Name3-[[5-(3-bicyclo[3.2.1]octanyl)-1-(2,5-dimethylphenyl)-1,2,4-triazol-3-yl]methyl]pyridine
PubChem CID155965891
Molecular FormulaC24H28N4
Molecular Weight372.52 g/mol
Exact Mass372.23
IUPAC Name3-[[5-(3-bicyclo[3.2.1]octanyl)-1-(2,5-dimethylphenyl)-1,2,4-triazol-3-yl]methyl]pyridine
SMILESCc1ccc(C)c(-n2nc(Cc3cccnc3)nc2C2CC3CCC(C3)C2)c1
InChIInChI=1S/C24H28N4/c1-16-5-6-17(2)22(10-16)28-24(21-12-18-7-8-19(11-18)13-21)26-23(27-28)14-20-4-3-9-25-15-20/h3-6,9-10,15,18-19,21H,7-8,11-14H2,1-2H3
InChIKeyCWTCUNNNKDYAJI-UHFFFAOYSA-N
XLogP5.16
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.52
LogP ≤ 55.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 3-[[5-(3-bicyclo[3.2.1]octanyl)-1-(2,5-dimethylphenyl)-1,2,4-triazol-3-yl]methyl]pyridine with MolForge

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Related Compounds

3-N-[3-(1-methylpiperidin-4-yl)phenyl]-1-pyridin-2-yl-1,2,4-triazole-3,5-diamine
CID 56593837
(3) 1H-1,2,4-triazol-3-yl-anilines
CID 57339835
3-[3-Ethyl-5-(6-phenyl-3-pyridinyl)-1,2,4-triazol-4-yl]-2-methylbenzonitrile
CID 9925334
2-[4-(4-Benzyl-5-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]pyridine
CID 10359487
2-[4-[5-Methyl-4-[(3-methylphenyl)methyl]-1,2,4-triazol-3-yl]piperidin-1-yl]pyridine
CID 10383074
2-[4-[5-Methyl-4-(4-methylphenyl)-1,2,4-triazol-3-yl]piperidin-1-yl]pyridine
CID 11461755
2-[4-[5-Methyl-4-(2-methylphenyl)-1,2,4-triazol-3-yl]piperidin-1-yl]pyridine
CID 11473073
2-[4-(4-Benzyl-5-butyl-1,2,4-triazol-3-yl)piperidin-1-yl]pyridine
CID 11740204
5-Methyl-1-(1-pyridin-2-ylpiperidin-4-yl)-4,6-dihydro-[1,2,4]triazolo[4,3-a][1,4]benzodiazepine
CID 21925586
5-[3-Ethyl-5-(4-phenylphenyl)-1,2,4-triazol-4-yl]isoquinoline
CID 22019226
(11) 1H-1,2,4-triazol-3-yl-anilines 3-tBu-(C6H4) 4-Pyridine
CID 57339842
(12) 1H-1,2,4-triazol-3-yl-anilines 4-tBu-(C6H4) 4-Pyridine
CID 57339843

Frequently Asked Questions

What is the IUPAC name of 3-[[5-(3-bicyclo[3.2.1]octanyl)-1-(2,5-dimethylphenyl)-1,2,4-triazol-3-yl]methyl]pyridine?
The IUPAC name of 3-[[5-(3-bicyclo[3.2.1]octanyl)-1-(2,5-dimethylphenyl)-1,2,4-triazol-3-yl]methyl]pyridine (CID 155965891) is 3-[[5-(3-bicyclo[3.2.1]octanyl)-1-(2,5-dimethylphenyl)-1,2,4-triazol-3-yl]methyl]pyridine.
What is the SMILES notation for 3-[[5-(3-bicyclo[3.2.1]octanyl)-1-(2,5-dimethylphenyl)-1,2,4-triazol-3-yl]methyl]pyridine?
The canonical SMILES for 3-[[5-(3-bicyclo[3.2.1]octanyl)-1-(2,5-dimethylphenyl)-1,2,4-triazol-3-yl]methyl]pyridine is Cc1ccc(C)c(-n2nc(Cc3cccnc3)nc2C2CC3CCC(C3)C2)c1.
What is the InChIKey of 3-[[5-(3-bicyclo[3.2.1]octanyl)-1-(2,5-dimethylphenyl)-1,2,4-triazol-3-yl]methyl]pyridine?
The InChIKey is CWTCUNNNKDYAJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4/c1-16-5-6-17(2)22(10-16)28-24(21-12-18-7-8-19(11-18)13-21)26-23(27-28)14-20-4-3-9-25-15-20/h3-6,9-10,15,18-19,21H,7-8,11-14H2,1-2H3.
What are the key properties of 3-[[5-(3-bicyclo[3.2.1]octanyl)-1-(2,5-dimethylphenyl)-1,2,4-triazol-3-yl]methyl]pyridine?
3-[[5-(3-bicyclo[3.2.1]octanyl)-1-(2,5-dimethylphenyl)-1,2,4-triazol-3-yl]methyl]pyridine has a molecular weight of 372.52 g/mol, XLogP of 5.16, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[5-(3-bicyclo[3.2.1]octanyl)-1-(2,5-dimethylphenyl)-1,2,4-triazol-3-yl]methyl]pyridine is sourced from PubChem (CID 155965891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).