3-[8-(3-methylbutoxy)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]aniline

C17H20N4O — CID 82056430

IUPAC3-[8-(3-methylbutoxy)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]aniline
SMILESCC(C)CCOc1cccn2c(-c3cccc(N)c3)nnc12
InChIInChI=1S/C17H20N4O/c1-12(2)8-10-22-15-7-4-9-21-16(19-20-17(15)21)13-5-3-6-14(18)11-13/h3-7,9,11-12H,8,10,18H2,1-2H3
InChIKeyJMALOOUHCYSFEI-UHFFFAOYSA-N
MW296.37 g/mol
LogP3.40
Rot. Bonds5

About 3-[8-(3-methylbutoxy)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]aniline

3-[8-(3-methylbutoxy)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]aniline (PubChem CID 82056430) has the molecular formula C17H20N4O and a molecular weight of 296.37 g/mol. Its IUPAC name is 3-[8-(3-methylbutoxy)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]aniline.

Molecular Properties

Compound Name3-[8-(3-methylbutoxy)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]aniline
PubChem CID82056430
Molecular FormulaC17H20N4O
Molecular Weight296.37 g/mol
Exact Mass296.16
IUPAC Name3-[8-(3-methylbutoxy)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]aniline
SMILESCC(C)CCOc1cccn2c(-c3cccc(N)c3)nnc12
InChIInChI=1S/C17H20N4O/c1-12(2)8-10-22-15-7-4-9-21-16(19-20-17(15)21)13-5-3-6-14(18)11-13/h3-7,9,11-12H,8,10,18H2,1-2H3
InChIKeyJMALOOUHCYSFEI-UHFFFAOYSA-N
XLogP3.40
TPSA65.44 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 3-[8-(3-methylbutoxy)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]aniline with MolForge

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

Launch Full Analysis

Related Compounds

4-[8-(3-methylbutoxy)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]aniline
CID 82056443
3-(8-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)aniline
CID 82058636
3-(3-bromophenyl)-8-methoxy-[1,2,4]triazolo[4,3-a]pyridine
CID 117145584
3-(3-bromophenyl)-8-methyl-[1,2,4]triazolo[4,3-a]pyridine
CID 117147131
[3-(3-methoxyphenyl)-[1,2,4]triazolo[4,3-a]pyridin-8-yl]methanamine
CID 117145868
3,5-bis(3-aminophenyl)-1,2,4-triazol-4-amine
CID 5302316
3-[2-(3-aminophenyl)imidazol-1-yl]-2-methylpropanamide
CID 60812856
[3-(3-bromophenyl)-[1,2,4]triazolo[4,3-a]pyridin-8-yl]methanamine
CID 117145864
3-(7-phenyl-[1,2,4]triazolo[4,3-c]pyrimidin-3-yl)aniline
CID 82167018
2-methyl-3-[3-(3-methylbutoxy)-2-oxo-1-pyridinyl]propanethioamide
CID 82151747
3-(4-propan-2-yl-1,2,4-triazol-3-yl)aniline
CID 62695272
3-[[3-[4-(3-methylbutoxy)phenyl]-1H-pyrazol-5-yl]methoxy]aniline
CID 54851930

Frequently Asked Questions

What is the IUPAC name of 3-[8-(3-methylbutoxy)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]aniline?
The IUPAC name of 3-[8-(3-methylbutoxy)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]aniline (CID 82056430) is 3-[8-(3-methylbutoxy)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]aniline.
What is the SMILES notation for 3-[8-(3-methylbutoxy)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]aniline?
The canonical SMILES for 3-[8-(3-methylbutoxy)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]aniline is CC(C)CCOc1cccn2c(-c3cccc(N)c3)nnc12.
What is the InChIKey of 3-[8-(3-methylbutoxy)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]aniline?
The InChIKey is JMALOOUHCYSFEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O/c1-12(2)8-10-22-15-7-4-9-21-16(19-20-17(15)21)13-5-3-6-14(18)11-13/h3-7,9,11-12H,8,10,18H2,1-2H3.
What are the key properties of 3-[8-(3-methylbutoxy)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]aniline?
3-[8-(3-methylbutoxy)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]aniline has a molecular weight of 296.37 g/mol, XLogP of 3.40, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[8-(3-methylbutoxy)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]aniline is sourced from PubChem (CID 82056430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).