2-ethyl-5-(triazol-1-yl)aniline

C10H12N4 — CID 174620825

IUPAC2-ethyl-5-(triazol-1-yl)aniline
SMILESCCc1ccc(-n2ccnn2)cc1N
InChIInChI=1S/C10H12N4/c1-2-8-3-4-9(7-10(8)11)14-6-5-12-13-14/h3-7H,2,11H2,1H3
InChIKeyZIKNRTHCRMAAKD-UHFFFAOYSA-N
MW188.23 g/mol
LogP1.41
Rot. Bonds2

About 2-ethyl-5-(triazol-1-yl)aniline

2-ethyl-5-(triazol-1-yl)aniline (PubChem CID 174620825) has the molecular formula C10H12N4 and a molecular weight of 188.23 g/mol. Its IUPAC name is 2-ethyl-5-(triazol-1-yl)aniline.

Molecular Properties

Compound Name2-ethyl-5-(triazol-1-yl)aniline
PubChem CID174620825
Molecular FormulaC10H12N4
Molecular Weight188.23 g/mol
Exact Mass188.11
IUPAC Name2-ethyl-5-(triazol-1-yl)aniline
SMILESCCc1ccc(-n2ccnn2)cc1N
InChIInChI=1S/C10H12N4/c1-2-8-3-4-9(7-10(8)11)14-6-5-12-13-14/h3-7H,2,11H2,1H3
InChIKeyZIKNRTHCRMAAKD-UHFFFAOYSA-N
XLogP1.41
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.23
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-ethyl-5-(triazol-1-yl)aniline?
The IUPAC name of 2-ethyl-5-(triazol-1-yl)aniline (CID 174620825) is 2-ethyl-5-(triazol-1-yl)aniline.
What is the SMILES notation for 2-ethyl-5-(triazol-1-yl)aniline?
The canonical SMILES for 2-ethyl-5-(triazol-1-yl)aniline is CCc1ccc(-n2ccnn2)cc1N.
What is the InChIKey of 2-ethyl-5-(triazol-1-yl)aniline?
The InChIKey is ZIKNRTHCRMAAKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4/c1-2-8-3-4-9(7-10(8)11)14-6-5-12-13-14/h3-7H,2,11H2,1H3.
What are the key properties of 2-ethyl-5-(triazol-1-yl)aniline?
2-ethyl-5-(triazol-1-yl)aniline has a molecular weight of 188.23 g/mol, XLogP of 1.41, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-5-(triazol-1-yl)aniline is sourced from PubChem (CID 174620825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).