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

C16H22N4 — CID 61362386

IUPAC2-(4-cyclohexyl-5-methyl-1,2,4-triazol-3-yl)-4-methylaniline
SMILESCc1ccc(N)c(-c2nnc(C)n2C2CCCCC2)c1
InChIInChI=1S/C16H22N4/c1-11-8-9-15(17)14(10-11)16-19-18-12(2)20(16)13-6-4-3-5-7-13/h8-10,13H,3-7,17H2,1-2H3
InChIKeyBWRPRNDISZLKMT-UHFFFAOYSA-N
MW270.38 g/mol
LogP3.65
Rot. Bonds2

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

2-(4-cyclohexyl-5-methyl-1,2,4-triazol-3-yl)-4-methylaniline (PubChem CID 61362386) has the molecular formula C16H22N4 and a molecular weight of 270.38 g/mol. Its IUPAC name is 2-(4-cyclohexyl-5-methyl-1,2,4-triazol-3-yl)-4-methylaniline.

Molecular Properties

Compound Name2-(4-cyclohexyl-5-methyl-1,2,4-triazol-3-yl)-4-methylaniline
PubChem CID61362386
Molecular FormulaC16H22N4
Molecular Weight270.38 g/mol
Exact Mass270.18
IUPAC Name2-(4-cyclohexyl-5-methyl-1,2,4-triazol-3-yl)-4-methylaniline
SMILESCc1ccc(N)c(-c2nnc(C)n2C2CCCCC2)c1
InChIInChI=1S/C16H22N4/c1-11-8-9-15(17)14(10-11)16-19-18-12(2)20(16)13-6-4-3-5-7-13/h8-10,13H,3-7,17H2,1-2H3
InChIKeyBWRPRNDISZLKMT-UHFFFAOYSA-N
XLogP3.65
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.38
LogP ≤ 53.65
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-(4-cyclohexyl-5-methyl-1,2,4-triazol-3-yl)-4-methylaniline?
The IUPAC name of 2-(4-cyclohexyl-5-methyl-1,2,4-triazol-3-yl)-4-methylaniline (CID 61362386) is 2-(4-cyclohexyl-5-methyl-1,2,4-triazol-3-yl)-4-methylaniline.
What is the SMILES notation for 2-(4-cyclohexyl-5-methyl-1,2,4-triazol-3-yl)-4-methylaniline?
The canonical SMILES for 2-(4-cyclohexyl-5-methyl-1,2,4-triazol-3-yl)-4-methylaniline is Cc1ccc(N)c(-c2nnc(C)n2C2CCCCC2)c1.
What is the InChIKey of 2-(4-cyclohexyl-5-methyl-1,2,4-triazol-3-yl)-4-methylaniline?
The InChIKey is BWRPRNDISZLKMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4/c1-11-8-9-15(17)14(10-11)16-19-18-12(2)20(16)13-6-4-3-5-7-13/h8-10,13H,3-7,17H2,1-2H3.
What are the key properties of 2-(4-cyclohexyl-5-methyl-1,2,4-triazol-3-yl)-4-methylaniline?
2-(4-cyclohexyl-5-methyl-1,2,4-triazol-3-yl)-4-methylaniline has a molecular weight of 270.38 g/mol, XLogP of 3.65, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-cyclohexyl-5-methyl-1,2,4-triazol-3-yl)-4-methylaniline is sourced from PubChem (CID 61362386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).