6-cyclopropyl-7-[(3,5-dimethyl-3-propyl-1-bicyclo[3.3.1]nonanyl)methoxy]-[1,2,4]triazolo[4,3-a]pyridine

C24H35N3O — CID 126486849

IUPAC6-cyclopropyl-7-[(3,5-dimethyl-3-propyl-1-bicyclo[3.3.1]nonanyl)methoxy]-[1,2,4]triazolo[4,3-a]pyridine
SMILESCCCC1(C)CC2(C)CCCC(COc3cc4nncn4cc3C3CC3)(C1)C2
InChIInChI=1S/C24H35N3O/c1-4-8-22(2)13-23(3)9-5-10-24(14-22,15-23)16-28-20-11-21-26-25-17-27(21)12-19(20)18-6-7-18/h11-12,17-18H,4-10,13-16H2,1-3H3
InChIKeyYAXBDLZWVPBPTD-UHFFFAOYSA-N
MW381.56 g/mol
LogP6.15
Rot. Bonds6

About 6-cyclopropyl-7-[(3,5-dimethyl-3-propyl-1-bicyclo[3.3.1]nonanyl)methoxy]-[1,2,4]triazolo[4,3-a]pyridine

6-cyclopropyl-7-[(3,5-dimethyl-3-propyl-1-bicyclo[3.3.1]nonanyl)methoxy]-[1,2,4]triazolo[4,3-a]pyridine (PubChem CID 126486849) has the molecular formula C24H35N3O and a molecular weight of 381.56 g/mol. Its IUPAC name is 6-cyclopropyl-7-[(3,5-dimethyl-3-propyl-1-bicyclo[3.3.1]nonanyl)methoxy]-[1,2,4]triazolo[4,3-a]pyridine.

Molecular Properties

Compound Name6-cyclopropyl-7-[(3,5-dimethyl-3-propyl-1-bicyclo[3.3.1]nonanyl)methoxy]-[1,2,4]triazolo[4,3-a]pyridine
PubChem CID126486849
Molecular FormulaC24H35N3O
Molecular Weight381.56 g/mol
Exact Mass381.28
IUPAC Name6-cyclopropyl-7-[(3,5-dimethyl-3-propyl-1-bicyclo[3.3.1]nonanyl)methoxy]-[1,2,4]triazolo[4,3-a]pyridine
SMILESCCCC1(C)CC2(C)CCCC(COc3cc4nncn4cc3C3CC3)(C1)C2
InChIInChI=1S/C24H35N3O/c1-4-8-22(2)13-23(3)9-5-10-24(14-22,15-23)16-28-20-11-21-26-25-17-27(21)12-19(20)18-6-7-18/h11-12,17-18H,4-10,13-16H2,1-3H3
InChIKeyYAXBDLZWVPBPTD-UHFFFAOYSA-N
XLogP6.15
TPSA39.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500381.56
LogP ≤ 56.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 6-cyclopropyl-7-[(3,5-dimethyl-3-propyl-1-bicyclo[3.3.1]nonanyl)methoxy]-[1,2,4]triazolo[4,3-a]pyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-cyclopropyl-7-[(3,5-dimethyl-3-propyl-1-bicyclo[3.3.1]nonanyl)methoxy]-[1,2,4]triazolo[4,3-a]pyridine?
The IUPAC name of 6-cyclopropyl-7-[(3,5-dimethyl-3-propyl-1-bicyclo[3.3.1]nonanyl)methoxy]-[1,2,4]triazolo[4,3-a]pyridine (CID 126486849) is 6-cyclopropyl-7-[(3,5-dimethyl-3-propyl-1-bicyclo[3.3.1]nonanyl)methoxy]-[1,2,4]triazolo[4,3-a]pyridine.
What is the SMILES notation for 6-cyclopropyl-7-[(3,5-dimethyl-3-propyl-1-bicyclo[3.3.1]nonanyl)methoxy]-[1,2,4]triazolo[4,3-a]pyridine?
The canonical SMILES for 6-cyclopropyl-7-[(3,5-dimethyl-3-propyl-1-bicyclo[3.3.1]nonanyl)methoxy]-[1,2,4]triazolo[4,3-a]pyridine is CCCC1(C)CC2(C)CCCC(COc3cc4nncn4cc3C3CC3)(C1)C2.
What is the InChIKey of 6-cyclopropyl-7-[(3,5-dimethyl-3-propyl-1-bicyclo[3.3.1]nonanyl)methoxy]-[1,2,4]triazolo[4,3-a]pyridine?
The InChIKey is YAXBDLZWVPBPTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H35N3O/c1-4-8-22(2)13-23(3)9-5-10-24(14-22,15-23)16-28-20-11-21-26-25-17-27(21)12-19(20)18-6-7-18/h11-12,17-18H,4-10,13-16H2,1-3H3.
What are the key properties of 6-cyclopropyl-7-[(3,5-dimethyl-3-propyl-1-bicyclo[3.3.1]nonanyl)methoxy]-[1,2,4]triazolo[4,3-a]pyridine?
6-cyclopropyl-7-[(3,5-dimethyl-3-propyl-1-bicyclo[3.3.1]nonanyl)methoxy]-[1,2,4]triazolo[4,3-a]pyridine has a molecular weight of 381.56 g/mol, XLogP of 6.15, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclopropyl-7-[(3,5-dimethyl-3-propyl-1-bicyclo[3.3.1]nonanyl)methoxy]-[1,2,4]triazolo[4,3-a]pyridine is sourced from PubChem (CID 126486849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).