2-ethoxy-5-(1,2,4-triazol-4-yl)aniline

C10H12N4O — CID 28643059

IUPAC2-ethoxy-5-(1,2,4-triazol-4-yl)aniline
SMILESCCOc1ccc(-n2cnnc2)cc1N
InChIInChI=1S/C10H12N4O/c1-2-15-10-4-3-8(5-9(10)11)14-6-12-13-7-14/h3-7H,2,11H2,1H3
InChIKeyRVYNVXUKSPKMNR-UHFFFAOYSA-N
MW204.23 g/mol
LogP1.25
Rot. Bonds3

About 2-ethoxy-5-(1,2,4-triazol-4-yl)aniline

2-ethoxy-5-(1,2,4-triazol-4-yl)aniline (PubChem CID 28643059) has the molecular formula C10H12N4O and a molecular weight of 204.23 g/mol. Its IUPAC name is 2-ethoxy-5-(1,2,4-triazol-4-yl)aniline.

Molecular Properties

Compound Name2-ethoxy-5-(1,2,4-triazol-4-yl)aniline
PubChem CID28643059
Molecular FormulaC10H12N4O
Molecular Weight204.23 g/mol
Exact Mass204.10
IUPAC Name2-ethoxy-5-(1,2,4-triazol-4-yl)aniline
SMILESCCOc1ccc(-n2cnnc2)cc1N
InChIInChI=1S/C10H12N4O/c1-2-15-10-4-3-8(5-9(10)11)14-6-12-13-7-14/h3-7H,2,11H2,1H3
InChIKeyRVYNVXUKSPKMNR-UHFFFAOYSA-N
XLogP1.25
TPSA65.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.23
LogP ≤ 51.25
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-ethoxy-5-(1,2,4-triazol-4-yl)aniline?
The IUPAC name of 2-ethoxy-5-(1,2,4-triazol-4-yl)aniline (CID 28643059) is 2-ethoxy-5-(1,2,4-triazol-4-yl)aniline.
What is the SMILES notation for 2-ethoxy-5-(1,2,4-triazol-4-yl)aniline?
The canonical SMILES for 2-ethoxy-5-(1,2,4-triazol-4-yl)aniline is CCOc1ccc(-n2cnnc2)cc1N.
What is the InChIKey of 2-ethoxy-5-(1,2,4-triazol-4-yl)aniline?
The InChIKey is RVYNVXUKSPKMNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4O/c1-2-15-10-4-3-8(5-9(10)11)14-6-12-13-7-14/h3-7H,2,11H2,1H3.
What are the key properties of 2-ethoxy-5-(1,2,4-triazol-4-yl)aniline?
2-ethoxy-5-(1,2,4-triazol-4-yl)aniline has a molecular weight of 204.23 g/mol, XLogP of 1.25, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-5-(1,2,4-triazol-4-yl)aniline is sourced from PubChem (CID 28643059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).