2-[2-(1,2,4-triazol-1-yl)ethoxy]aniline

C10H12N4O — CID 43365673

IUPAC2-[2-(1,2,4-triazol-1-yl)ethoxy]aniline
SMILESNc1ccccc1OCCn1cncn1
InChIInChI=1S/C10H12N4O/c11-9-3-1-2-4-10(9)15-6-5-14-8-12-7-13-14/h1-4,7-8H,5-6,11H2
InChIKeyLOUYEGXREMSVHV-UHFFFAOYSA-N
MW204.23 g/mol
LogP0.94
Rot. Bonds4

About 2-[2-(1,2,4-triazol-1-yl)ethoxy]aniline

2-[2-(1,2,4-triazol-1-yl)ethoxy]aniline (PubChem CID 43365673) has the molecular formula C10H12N4O and a molecular weight of 204.23 g/mol. Its IUPAC name is 2-[2-(1,2,4-triazol-1-yl)ethoxy]aniline.

Molecular Properties

Compound Name2-[2-(1,2,4-triazol-1-yl)ethoxy]aniline
PubChem CID43365673
Molecular FormulaC10H12N4O
Molecular Weight204.23 g/mol
Exact Mass204.10
IUPAC Name2-[2-(1,2,4-triazol-1-yl)ethoxy]aniline
SMILESNc1ccccc1OCCn1cncn1
InChIInChI=1S/C10H12N4O/c11-9-3-1-2-4-10(9)15-6-5-14-8-12-7-13-14/h1-4,7-8H,5-6,11H2
InChIKeyLOUYEGXREMSVHV-UHFFFAOYSA-N
XLogP0.94
TPSA65.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.23
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(1,2,4-triazol-1-yl)ethoxy]aniline?
The IUPAC name of 2-[2-(1,2,4-triazol-1-yl)ethoxy]aniline (CID 43365673) is 2-[2-(1,2,4-triazol-1-yl)ethoxy]aniline.
What is the SMILES notation for 2-[2-(1,2,4-triazol-1-yl)ethoxy]aniline?
The canonical SMILES for 2-[2-(1,2,4-triazol-1-yl)ethoxy]aniline is Nc1ccccc1OCCn1cncn1.
What is the InChIKey of 2-[2-(1,2,4-triazol-1-yl)ethoxy]aniline?
The InChIKey is LOUYEGXREMSVHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4O/c11-9-3-1-2-4-10(9)15-6-5-14-8-12-7-13-14/h1-4,7-8H,5-6,11H2.
What are the key properties of 2-[2-(1,2,4-triazol-1-yl)ethoxy]aniline?
2-[2-(1,2,4-triazol-1-yl)ethoxy]aniline has a molecular weight of 204.23 g/mol, XLogP of 0.94, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(1,2,4-triazol-1-yl)ethoxy]aniline is sourced from PubChem (CID 43365673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).