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

C17H20N4O — CID 82056443

IUPAC4-[8-(3-methylbutoxy)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]aniline
SMILESCC(C)CCOc1cccn2c(-c3ccc(N)cc3)nnc12
InChIInChI=1S/C17H20N4O/c1-12(2)9-11-22-15-4-3-10-21-16(19-20-17(15)21)13-5-7-14(18)8-6-13/h3-8,10,12H,9,11,18H2,1-2H3
InChIKeyKABMXBUEYDJGKU-UHFFFAOYSA-N
MW296.37 g/mol
LogP3.40
Rot. Bonds5

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

4-[8-(3-methylbutoxy)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]aniline (PubChem CID 82056443) has the molecular formula C17H20N4O and a molecular weight of 296.37 g/mol. Its IUPAC name is 4-[8-(3-methylbutoxy)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]aniline.

Molecular Properties

Compound Name4-[8-(3-methylbutoxy)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]aniline
PubChem CID82056443
Molecular FormulaC17H20N4O
Molecular Weight296.37 g/mol
Exact Mass296.16
IUPAC Name4-[8-(3-methylbutoxy)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]aniline
SMILESCC(C)CCOc1cccn2c(-c3ccc(N)cc3)nnc12
InChIInChI=1S/C17H20N4O/c1-12(2)9-11-22-15-4-3-10-21-16(19-20-17(15)21)13-5-7-14(18)8-6-13/h3-8,10,12H,9,11,18H2,1-2H3
InChIKeyKABMXBUEYDJGKU-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 4-[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

3-[8-(3-methylbutoxy)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]aniline
CID 82056430
3-(8-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)aniline
CID 82058636
4-[2-(2-methylimidazo[1,2-a]pyridin-8-yl)oxyethoxy]aniline
CID 82147716
3-(3-bromophenyl)-8-methoxy-[1,2,4]triazolo[4,3-a]pyridine
CID 117145584
6-(3-methylbutoxy)pyridazin-3-amine
CID 112693082
(3-phenyl-[1,2,4]triazolo[4,3-a]pyridin-8-yl)methanamine
CID 82054849
2-methyl-3-[3-(3-methylbutoxy)-2-oxo-1-pyridinyl]propanethioamide
CID 82151747
2-[[8-(2-methylpropoxy)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]acetic acid
CID 82056457
4-(8-ethoxy-[1,2,4]triazolo[1,5-a]pyridin-2-yl)aniline
CID 83967055
2-(4-aminophenyl)-N-[[2-(3-methylbutoxy)phenyl]methyl]acetamide
CID 119759010
ethyl 3-[4-(methoxycarbonylamino)phenyl]-[1,2,4]triazolo[4,3-a]pyridine-8-carboxylate
CID 58137767
2-[2-methyl-6-(3-methylbutoxy)phenyl]acetamide
CID 70425140

Frequently Asked Questions

What is the IUPAC name of 4-[8-(3-methylbutoxy)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]aniline?
The IUPAC name of 4-[8-(3-methylbutoxy)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]aniline (CID 82056443) is 4-[8-(3-methylbutoxy)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]aniline.
What is the SMILES notation for 4-[8-(3-methylbutoxy)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]aniline?
The canonical SMILES for 4-[8-(3-methylbutoxy)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]aniline is CC(C)CCOc1cccn2c(-c3ccc(N)cc3)nnc12.
What is the InChIKey of 4-[8-(3-methylbutoxy)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]aniline?
The InChIKey is KABMXBUEYDJGKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O/c1-12(2)9-11-22-15-4-3-10-21-16(19-20-17(15)21)13-5-7-14(18)8-6-13/h3-8,10,12H,9,11,18H2,1-2H3.
What are the key properties of 4-[8-(3-methylbutoxy)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]aniline?
4-[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 4-[8-(3-methylbutoxy)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]aniline is sourced from PubChem (CID 82056443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).