3-(4-ethyltriazol-1-yl)-4-methylaniline

C11H14N4 — CID 66545206

IUPAC3-(4-ethyltriazol-1-yl)-4-methylaniline
SMILESCCc1cn(-c2cc(N)ccc2C)nn1
InChIInChI=1S/C11H14N4/c1-3-10-7-15(14-13-10)11-6-9(12)5-4-8(11)2/h4-7H,3,12H2,1-2H3
InChIKeySCFOPNIRUCAQIL-UHFFFAOYSA-N
MW202.26 g/mol
LogP1.72
Rot. Bonds2

About 3-(4-ethyltriazol-1-yl)-4-methylaniline

3-(4-ethyltriazol-1-yl)-4-methylaniline (PubChem CID 66545206) has the molecular formula C11H14N4 and a molecular weight of 202.26 g/mol. Its IUPAC name is 3-(4-ethyltriazol-1-yl)-4-methylaniline.

Molecular Properties

Compound Name3-(4-ethyltriazol-1-yl)-4-methylaniline
PubChem CID66545206
Molecular FormulaC11H14N4
Molecular Weight202.26 g/mol
Exact Mass202.12
IUPAC Name3-(4-ethyltriazol-1-yl)-4-methylaniline
SMILESCCc1cn(-c2cc(N)ccc2C)nn1
InChIInChI=1S/C11H14N4/c1-3-10-7-15(14-13-10)11-6-9(12)5-4-8(11)2/h4-7H,3,12H2,1-2H3
InChIKeySCFOPNIRUCAQIL-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 3-(4-ethyltriazol-1-yl)-4-methylaniline?
The IUPAC name of 3-(4-ethyltriazol-1-yl)-4-methylaniline (CID 66545206) is 3-(4-ethyltriazol-1-yl)-4-methylaniline.
What is the SMILES notation for 3-(4-ethyltriazol-1-yl)-4-methylaniline?
The canonical SMILES for 3-(4-ethyltriazol-1-yl)-4-methylaniline is CCc1cn(-c2cc(N)ccc2C)nn1.
What is the InChIKey of 3-(4-ethyltriazol-1-yl)-4-methylaniline?
The InChIKey is SCFOPNIRUCAQIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4/c1-3-10-7-15(14-13-10)11-6-9(12)5-4-8(11)2/h4-7H,3,12H2,1-2H3.
What are the key properties of 3-(4-ethyltriazol-1-yl)-4-methylaniline?
3-(4-ethyltriazol-1-yl)-4-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 3-(4-ethyltriazol-1-yl)-4-methylaniline is sourced from PubChem (CID 66545206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).