4-(8-ethoxy-[1,2,4]triazolo[1,5-a]pyridin-2-yl)aniline

C14H14N4O — CID 83967055

IUPAC4-(8-ethoxy-[1,2,4]triazolo[1,5-a]pyridin-2-yl)aniline
SMILESCCOc1cccn2nc(-c3ccc(N)cc3)nc12
InChIInChI=1S/C14H14N4O/c1-2-19-12-4-3-9-18-14(12)16-13(17-18)10-5-7-11(15)8-6-10/h3-9H,2,15H2,1H3
InChIKeyMIBKHXBYVOKIOH-UHFFFAOYSA-N
MW254.29 g/mol
LogP2.38
Rot. Bonds3

About 4-(8-ethoxy-[1,2,4]triazolo[1,5-a]pyridin-2-yl)aniline

4-(8-ethoxy-[1,2,4]triazolo[1,5-a]pyridin-2-yl)aniline (PubChem CID 83967055) has the molecular formula C14H14N4O and a molecular weight of 254.29 g/mol. Its IUPAC name is 4-(8-ethoxy-[1,2,4]triazolo[1,5-a]pyridin-2-yl)aniline.

Molecular Properties

Compound Name4-(8-ethoxy-[1,2,4]triazolo[1,5-a]pyridin-2-yl)aniline
PubChem CID83967055
Molecular FormulaC14H14N4O
Molecular Weight254.29 g/mol
Exact Mass254.12
IUPAC Name4-(8-ethoxy-[1,2,4]triazolo[1,5-a]pyridin-2-yl)aniline
SMILESCCOc1cccn2nc(-c3ccc(N)cc3)nc12
InChIInChI=1S/C14H14N4O/c1-2-19-12-4-3-9-18-14(12)16-13(17-18)10-5-7-11(15)8-6-10/h3-9H,2,15H2,1H3
InChIKeyMIBKHXBYVOKIOH-UHFFFAOYSA-N
XLogP2.38
TPSA65.44 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-ethoxy-5-(8-ethoxy-[1,2,4]triazolo[1,5-a]pyridin-2-yl)aniline
CID 83967051
4-(8-fluoro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)aniline
CID 83967082
8-methoxy-2-pyridin-4-yl-[1,2,4]triazolo[1,5-a]pyridine
CID 117137886
2-(8-ethoxy-2-methylimidazo[1,2-a]pyridin-3-yl)ethanamine
CID 82055784
5-(8-fluoro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-2-methylaniline
CID 83967080
4-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)aniline
CID 82566323
2-(3,4-dichlorophenyl)-8-methyl-[1,2,4]triazolo[1,5-a]pyridine
CID 82566300
8-ethoxyquinoxalin-2-amine
CID 133058071
methyl 2-(4-aminophenyl)-6-phenyl-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylate
CID 82565449
1-[2-(4-aminophenoxy)ethyl]-3-ethoxypyridin-2-one
CID 82151907
8-(iodomethoxy)-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridine
CID 172730406
4-[4-(2-oxa-6-azaspiro[3.3]heptan-6-yl)pyrrolo[2,1-f][1,2,4]triazin-2-yl]aniline
CID 145420547

Frequently Asked Questions

What is the IUPAC name of 4-(8-ethoxy-[1,2,4]triazolo[1,5-a]pyridin-2-yl)aniline?
The IUPAC name of 4-(8-ethoxy-[1,2,4]triazolo[1,5-a]pyridin-2-yl)aniline (CID 83967055) is 4-(8-ethoxy-[1,2,4]triazolo[1,5-a]pyridin-2-yl)aniline.
What is the SMILES notation for 4-(8-ethoxy-[1,2,4]triazolo[1,5-a]pyridin-2-yl)aniline?
The canonical SMILES for 4-(8-ethoxy-[1,2,4]triazolo[1,5-a]pyridin-2-yl)aniline is CCOc1cccn2nc(-c3ccc(N)cc3)nc12.
What is the InChIKey of 4-(8-ethoxy-[1,2,4]triazolo[1,5-a]pyridin-2-yl)aniline?
The InChIKey is MIBKHXBYVOKIOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4O/c1-2-19-12-4-3-9-18-14(12)16-13(17-18)10-5-7-11(15)8-6-10/h3-9H,2,15H2,1H3.
What are the key properties of 4-(8-ethoxy-[1,2,4]triazolo[1,5-a]pyridin-2-yl)aniline?
4-(8-ethoxy-[1,2,4]triazolo[1,5-a]pyridin-2-yl)aniline has a molecular weight of 254.29 g/mol, XLogP of 2.38, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(8-ethoxy-[1,2,4]triazolo[1,5-a]pyridin-2-yl)aniline is sourced from PubChem (CID 83967055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).