N,N-dimethyl-3-[[5-([1,2,4]triazolo[4,3-a]pyridin-5-yl)-2-pyridinyl]oxy]propan-1-amine

C16H19N5O — CID 46947912

IUPACN,N-dimethyl-3-[[5-([1,2,4]triazolo[4,3-a]pyridin-5-yl)-2-pyridinyl]oxy]propan-1-amine
SMILESCN(C)CCCOc1ccc(-c2cccc3nncn23)cn1
InChIInChI=1S/C16H19N5O/c1-20(2)9-4-10-22-16-8-7-13(11-17-16)14-5-3-6-15-19-18-12-21(14)15/h3,5-8,11-12H,4,9-10H2,1-2H3
InChIKeyYLBQOTVQXHOOQA-UHFFFAOYSA-N
MW297.36 g/mol
LogP2.12
Rot. Bonds6

About N,N-dimethyl-3-[[5-([1,2,4]triazolo[4,3-a]pyridin-5-yl)-2-pyridinyl]oxy]propan-1-amine

N,N-dimethyl-3-[[5-([1,2,4]triazolo[4,3-a]pyridin-5-yl)-2-pyridinyl]oxy]propan-1-amine (PubChem CID 46947912) has the molecular formula C16H19N5O and a molecular weight of 297.36 g/mol. Its IUPAC name is N,N-dimethyl-3-[[5-([1,2,4]triazolo[4,3-a]pyridin-5-yl)-2-pyridinyl]oxy]propan-1-amine.

Molecular Properties

Compound NameN,N-dimethyl-3-[[5-([1,2,4]triazolo[4,3-a]pyridin-5-yl)-2-pyridinyl]oxy]propan-1-amine
PubChem CID46947912
Molecular FormulaC16H19N5O
Molecular Weight297.36 g/mol
Exact Mass297.16
IUPAC NameN,N-dimethyl-3-[[5-([1,2,4]triazolo[4,3-a]pyridin-5-yl)-2-pyridinyl]oxy]propan-1-amine
SMILESCN(C)CCCOc1ccc(-c2cccc3nncn23)cn1
InChIInChI=1S/C16H19N5O/c1-20(2)9-4-10-22-16-8-7-13(11-17-16)14-5-3-6-15-19-18-12-21(14)15/h3,5-8,11-12H,4,9-10H2,1-2H3
InChIKeyYLBQOTVQXHOOQA-UHFFFAOYSA-N
XLogP2.12
TPSA55.55 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.36
LogP ≤ 52.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N,N-dimethyl-3-[[5-([1,2,4]triazolo[4,3-a]pyridin-5-yl)-2-pyridinyl]oxy]propan-1-amine 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 N,N-dimethyl-3-[[5-([1,2,4]triazolo[4,3-a]pyridin-5-yl)-2-pyridinyl]oxy]propan-1-amine?
The IUPAC name of N,N-dimethyl-3-[[5-([1,2,4]triazolo[4,3-a]pyridin-5-yl)-2-pyridinyl]oxy]propan-1-amine (CID 46947912) is N,N-dimethyl-3-[[5-([1,2,4]triazolo[4,3-a]pyridin-5-yl)-2-pyridinyl]oxy]propan-1-amine.
What is the SMILES notation for N,N-dimethyl-3-[[5-([1,2,4]triazolo[4,3-a]pyridin-5-yl)-2-pyridinyl]oxy]propan-1-amine?
The canonical SMILES for N,N-dimethyl-3-[[5-([1,2,4]triazolo[4,3-a]pyridin-5-yl)-2-pyridinyl]oxy]propan-1-amine is CN(C)CCCOc1ccc(-c2cccc3nncn23)cn1.
What is the InChIKey of N,N-dimethyl-3-[[5-([1,2,4]triazolo[4,3-a]pyridin-5-yl)-2-pyridinyl]oxy]propan-1-amine?
The InChIKey is YLBQOTVQXHOOQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N5O/c1-20(2)9-4-10-22-16-8-7-13(11-17-16)14-5-3-6-15-19-18-12-21(14)15/h3,5-8,11-12H,4,9-10H2,1-2H3.
What are the key properties of N,N-dimethyl-3-[[5-([1,2,4]triazolo[4,3-a]pyridin-5-yl)-2-pyridinyl]oxy]propan-1-amine?
N,N-dimethyl-3-[[5-([1,2,4]triazolo[4,3-a]pyridin-5-yl)-2-pyridinyl]oxy]propan-1-amine has a molecular weight of 297.36 g/mol, XLogP of 2.12, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-3-[[5-([1,2,4]triazolo[4,3-a]pyridin-5-yl)-2-pyridinyl]oxy]propan-1-amine is sourced from PubChem (CID 46947912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).