5-(3-ethyl-1,2,4-triazol-4-yl)-2-methylaniline

C11H14N4 — CID 82512361

IUPAC5-(3-ethyl-1,2,4-triazol-4-yl)-2-methylaniline
SMILESCCc1nncn1-c1ccc(C)c(N)c1
InChIInChI=1S/C11H14N4/c1-3-11-14-13-7-15(11)9-5-4-8(2)10(12)6-9/h4-7H,3,12H2,1-2H3
InChIKeyAJGJTNALXORCHF-UHFFFAOYSA-N
MW202.26 g/mol
LogP1.72
Rot. Bonds2

About 5-(3-ethyl-1,2,4-triazol-4-yl)-2-methylaniline

5-(3-ethyl-1,2,4-triazol-4-yl)-2-methylaniline (PubChem CID 82512361) has the molecular formula C11H14N4 and a molecular weight of 202.26 g/mol. Its IUPAC name is 5-(3-ethyl-1,2,4-triazol-4-yl)-2-methylaniline.

Molecular Properties

Compound Name5-(3-ethyl-1,2,4-triazol-4-yl)-2-methylaniline
PubChem CID82512361
Molecular FormulaC11H14N4
Molecular Weight202.26 g/mol
Exact Mass202.12
IUPAC Name5-(3-ethyl-1,2,4-triazol-4-yl)-2-methylaniline
SMILESCCc1nncn1-c1ccc(C)c(N)c1
InChIInChI=1S/C11H14N4/c1-3-11-14-13-7-15(11)9-5-4-8(2)10(12)6-9/h4-7H,3,12H2,1-2H3
InChIKeyAJGJTNALXORCHF-UHFFFAOYSA-N
XLogP1.72
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.26
LogP ≤ 51.72
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 5-(3-ethyl-1,2,4-triazol-4-yl)-2-methylaniline?
The IUPAC name of 5-(3-ethyl-1,2,4-triazol-4-yl)-2-methylaniline (CID 82512361) is 5-(3-ethyl-1,2,4-triazol-4-yl)-2-methylaniline.
What is the SMILES notation for 5-(3-ethyl-1,2,4-triazol-4-yl)-2-methylaniline?
The canonical SMILES for 5-(3-ethyl-1,2,4-triazol-4-yl)-2-methylaniline is CCc1nncn1-c1ccc(C)c(N)c1.
What is the InChIKey of 5-(3-ethyl-1,2,4-triazol-4-yl)-2-methylaniline?
The InChIKey is AJGJTNALXORCHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4/c1-3-11-14-13-7-15(11)9-5-4-8(2)10(12)6-9/h4-7H,3,12H2,1-2H3.
What are the key properties of 5-(3-ethyl-1,2,4-triazol-4-yl)-2-methylaniline?
5-(3-ethyl-1,2,4-triazol-4-yl)-2-methylaniline has a molecular weight of 202.26 g/mol, XLogP of 1.72, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-ethyl-1,2,4-triazol-4-yl)-2-methylaniline is sourced from PubChem (CID 82512361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).