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

C15H20N4 — CID 61337782

IUPAC5-(5-cyclohexyl-1H-1,2,4-triazol-3-yl)-2-methylaniline
SMILESCc1ccc(-c2n[nH]c(C3CCCCC3)n2)cc1N
InChIInChI=1S/C15H20N4/c1-10-7-8-12(9-13(10)16)15-17-14(18-19-15)11-5-3-2-4-6-11/h7-9,11H,2-6,16H2,1H3,(H,17,18,19)
InChIKeySANNZUTVKXRQNB-UHFFFAOYSA-N
MW256.35 g/mol
LogP3.41
Rot. Bonds2

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

5-(5-cyclohexyl-1H-1,2,4-triazol-3-yl)-2-methylaniline (PubChem CID 61337782) has the molecular formula C15H20N4 and a molecular weight of 256.35 g/mol. Its IUPAC name is 5-(5-cyclohexyl-1H-1,2,4-triazol-3-yl)-2-methylaniline.

Molecular Properties

Compound Name5-(5-cyclohexyl-1H-1,2,4-triazol-3-yl)-2-methylaniline
PubChem CID61337782
Molecular FormulaC15H20N4
Molecular Weight256.35 g/mol
Exact Mass256.17
IUPAC Name5-(5-cyclohexyl-1H-1,2,4-triazol-3-yl)-2-methylaniline
SMILESCc1ccc(-c2n[nH]c(C3CCCCC3)n2)cc1N
InChIInChI=1S/C15H20N4/c1-10-7-8-12(9-13(10)16)15-17-14(18-19-15)11-5-3-2-4-6-11/h7-9,11H,2-6,16H2,1H3,(H,17,18,19)
InChIKeySANNZUTVKXRQNB-UHFFFAOYSA-N
XLogP3.41
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-(5-cyclohexyl-1H-1,2,4-triazol-3-yl)-2-methylaniline?
The IUPAC name of 5-(5-cyclohexyl-1H-1,2,4-triazol-3-yl)-2-methylaniline (CID 61337782) is 5-(5-cyclohexyl-1H-1,2,4-triazol-3-yl)-2-methylaniline.
What is the SMILES notation for 5-(5-cyclohexyl-1H-1,2,4-triazol-3-yl)-2-methylaniline?
The canonical SMILES for 5-(5-cyclohexyl-1H-1,2,4-triazol-3-yl)-2-methylaniline is Cc1ccc(-c2n[nH]c(C3CCCCC3)n2)cc1N.
What is the InChIKey of 5-(5-cyclohexyl-1H-1,2,4-triazol-3-yl)-2-methylaniline?
The InChIKey is SANNZUTVKXRQNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4/c1-10-7-8-12(9-13(10)16)15-17-14(18-19-15)11-5-3-2-4-6-11/h7-9,11H,2-6,16H2,1H3,(H,17,18,19).
What are the key properties of 5-(5-cyclohexyl-1H-1,2,4-triazol-3-yl)-2-methylaniline?
5-(5-cyclohexyl-1H-1,2,4-triazol-3-yl)-2-methylaniline has a molecular weight of 256.35 g/mol, XLogP of 3.41, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-cyclohexyl-1H-1,2,4-triazol-3-yl)-2-methylaniline is sourced from PubChem (CID 61337782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).