2-methoxy-5-(5-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)aniline

C14H14N4O — CID 82058628

IUPAC2-methoxy-5-(5-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)aniline
SMILESCOc1ccc(-c2nnc3cccc(C)n23)cc1N
InChIInChI=1S/C14H14N4O/c1-9-4-3-5-13-16-17-14(18(9)13)10-6-7-12(19-2)11(15)8-10/h3-8H,15H2,1-2H3
InChIKeyZAMUFWICQUSFDE-UHFFFAOYSA-N
MW254.29 g/mol
LogP2.30
Rot. Bonds2

About 2-methoxy-5-(5-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)aniline

2-methoxy-5-(5-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)aniline (PubChem CID 82058628) has the molecular formula C14H14N4O and a molecular weight of 254.29 g/mol. Its IUPAC name is 2-methoxy-5-(5-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)aniline.

Molecular Properties

Compound Name2-methoxy-5-(5-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)aniline
PubChem CID82058628
Molecular FormulaC14H14N4O
Molecular Weight254.29 g/mol
Exact Mass254.12
IUPAC Name2-methoxy-5-(5-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)aniline
SMILESCOc1ccc(-c2nnc3cccc(C)n23)cc1N
InChIInChI=1S/C14H14N4O/c1-9-4-3-5-13-16-17-14(18(9)13)10-6-7-12(19-2)11(15)8-10/h3-8H,15H2,1-2H3
InChIKeyZAMUFWICQUSFDE-UHFFFAOYSA-N
XLogP2.30
TPSA65.44 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-methoxy-5-(5-methyl-[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-(3-chlorophenyl)-5-methyl-[1,2,4]triazolo[4,3-a]pyridine
CID 117142184
2-methoxy-5-(4-methyl-[1,2,4]triazolo[4,3-a]quinoxalin-1-yl)aniline
CID 82167307
5-(3-amino-4-methoxyphenyl)-2-methoxyaniline
CID 22646067
2-methoxy-5-[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]aniline
CID 93206142
2-(4-methoxy-3-methylphenyl)-5-methylimidazo[1,2-a]pyridin-3-amine
CID 63618111
2-methoxy-5-(6-methyl-[1,2,4]triazolo[3,4-a]phthalazin-3-yl)aniline
CID 82167264
2-(3-fluoro-4-methoxyphenyl)-5-methylimidazo[1,2-a]pyridin-3-amine
CID 65101402
3-(3-amino-4-methoxyphenyl)-N-(3,4,5-trimethoxyphenyl)-[1,2,4]triazolo[4,3-a]pyridin-6-amine
CID 171358715
5-(3-bromophenyl)-2-methoxyaniline
CID 115503810
2-methoxy-5-[3-(3-methoxyphenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-6-yl]aniline
CID 162540348
2-(3,4-dimethoxyphenyl)-1-methylbenzimidazol-4-amine
CID 82067974
2-(2-methoxy-4,5-dimethylphenyl)-5-methylimidazo[1,2-a]pyridin-3-amine
CID 82355893

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-5-(5-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)aniline?
The IUPAC name of 2-methoxy-5-(5-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)aniline (CID 82058628) is 2-methoxy-5-(5-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)aniline.
What is the SMILES notation for 2-methoxy-5-(5-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)aniline?
The canonical SMILES for 2-methoxy-5-(5-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)aniline is COc1ccc(-c2nnc3cccc(C)n23)cc1N.
What is the InChIKey of 2-methoxy-5-(5-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)aniline?
The InChIKey is ZAMUFWICQUSFDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4O/c1-9-4-3-5-13-16-17-14(18(9)13)10-6-7-12(19-2)11(15)8-10/h3-8H,15H2,1-2H3.
What are the key properties of 2-methoxy-5-(5-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)aniline?
2-methoxy-5-(5-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)aniline has a molecular weight of 254.29 g/mol, XLogP of 2.30, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-5-(5-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)aniline is sourced from PubChem (CID 82058628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).