4-[(8-ethoxy-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)methyl]aniline

C15H20N4O — CID 83965265

IUPAC4-[(8-ethoxy-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)methyl]aniline
SMILESCCOC1CCCn2nc(Cc3ccc(N)cc3)nc21
InChIInChI=1S/C15H20N4O/c1-2-20-13-4-3-9-19-15(13)17-14(18-19)10-11-5-7-12(16)8-6-11/h5-8,13H,2-4,9-10,16H2,1H3
InChIKeyXOAJOZUYIOSZOK-UHFFFAOYSA-N
MW272.35 g/mol
LogP2.32
Rot. Bonds4

About 4-[(8-ethoxy-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)methyl]aniline

4-[(8-ethoxy-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)methyl]aniline (PubChem CID 83965265) has the molecular formula C15H20N4O and a molecular weight of 272.35 g/mol. Its IUPAC name is 4-[(8-ethoxy-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)methyl]aniline.

Molecular Properties

Compound Name4-[(8-ethoxy-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)methyl]aniline
PubChem CID83965265
Molecular FormulaC15H20N4O
Molecular Weight272.35 g/mol
Exact Mass272.16
IUPAC Name4-[(8-ethoxy-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)methyl]aniline
SMILESCCOC1CCCn2nc(Cc3ccc(N)cc3)nc21
InChIInChI=1S/C15H20N4O/c1-2-20-13-4-3-9-19-15(13)17-14(18-19)10-11-5-7-12(16)8-6-11/h5-8,13H,2-4,9-10,16H2,1H3
InChIKeyXOAJOZUYIOSZOK-UHFFFAOYSA-N
XLogP2.32
TPSA65.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[(8-ethoxy-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)methyl]aniline?
The IUPAC name of 4-[(8-ethoxy-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)methyl]aniline (CID 83965265) is 4-[(8-ethoxy-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)methyl]aniline.
What is the SMILES notation for 4-[(8-ethoxy-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)methyl]aniline?
The canonical SMILES for 4-[(8-ethoxy-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)methyl]aniline is CCOC1CCCn2nc(Cc3ccc(N)cc3)nc21.
What is the InChIKey of 4-[(8-ethoxy-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)methyl]aniline?
The InChIKey is XOAJOZUYIOSZOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O/c1-2-20-13-4-3-9-19-15(13)17-14(18-19)10-11-5-7-12(16)8-6-11/h5-8,13H,2-4,9-10,16H2,1H3.
What are the key properties of 4-[(8-ethoxy-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)methyl]aniline?
4-[(8-ethoxy-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)methyl]aniline has a molecular weight of 272.35 g/mol, XLogP of 2.32, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(8-ethoxy-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)methyl]aniline is sourced from PubChem (CID 83965265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).