3-(5-cyclopentyl-1H-1,2,4-triazol-3-yl)-4,5-dimethylaniline

C15H20N4 — CID 63019648

IUPAC3-(5-cyclopentyl-1H-1,2,4-triazol-3-yl)-4,5-dimethylaniline
SMILESCc1cc(N)cc(-c2n[nH]c(C3CCCC3)n2)c1C
InChIInChI=1S/C15H20N4/c1-9-7-12(16)8-13(10(9)2)15-17-14(18-19-15)11-5-3-4-6-11/h7-8,11H,3-6,16H2,1-2H3,(H,17,18,19)
InChIKeyDROSUZRBNPKXIB-UHFFFAOYSA-N
MW256.35 g/mol
LogP3.33
Rot. Bonds2

About 3-(5-cyclopentyl-1H-1,2,4-triazol-3-yl)-4,5-dimethylaniline

3-(5-cyclopentyl-1H-1,2,4-triazol-3-yl)-4,5-dimethylaniline (PubChem CID 63019648) has the molecular formula C15H20N4 and a molecular weight of 256.35 g/mol. Its IUPAC name is 3-(5-cyclopentyl-1H-1,2,4-triazol-3-yl)-4,5-dimethylaniline.

Molecular Properties

Compound Name3-(5-cyclopentyl-1H-1,2,4-triazol-3-yl)-4,5-dimethylaniline
PubChem CID63019648
Molecular FormulaC15H20N4
Molecular Weight256.35 g/mol
Exact Mass256.17
IUPAC Name3-(5-cyclopentyl-1H-1,2,4-triazol-3-yl)-4,5-dimethylaniline
SMILESCc1cc(N)cc(-c2n[nH]c(C3CCCC3)n2)c1C
InChIInChI=1S/C15H20N4/c1-9-7-12(16)8-13(10(9)2)15-17-14(18-19-15)11-5-3-4-6-11/h7-8,11H,3-6,16H2,1-2H3,(H,17,18,19)
InChIKeyDROSUZRBNPKXIB-UHFFFAOYSA-N
XLogP3.33
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 ≤ 53.33
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 3-(5-cyclopentyl-1H-1,2,4-triazol-3-yl)-4,5-dimethylaniline?
The IUPAC name of 3-(5-cyclopentyl-1H-1,2,4-triazol-3-yl)-4,5-dimethylaniline (CID 63019648) is 3-(5-cyclopentyl-1H-1,2,4-triazol-3-yl)-4,5-dimethylaniline.
What is the SMILES notation for 3-(5-cyclopentyl-1H-1,2,4-triazol-3-yl)-4,5-dimethylaniline?
The canonical SMILES for 3-(5-cyclopentyl-1H-1,2,4-triazol-3-yl)-4,5-dimethylaniline is Cc1cc(N)cc(-c2n[nH]c(C3CCCC3)n2)c1C.
What is the InChIKey of 3-(5-cyclopentyl-1H-1,2,4-triazol-3-yl)-4,5-dimethylaniline?
The InChIKey is DROSUZRBNPKXIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4/c1-9-7-12(16)8-13(10(9)2)15-17-14(18-19-15)11-5-3-4-6-11/h7-8,11H,3-6,16H2,1-2H3,(H,17,18,19).
What are the key properties of 3-(5-cyclopentyl-1H-1,2,4-triazol-3-yl)-4,5-dimethylaniline?
3-(5-cyclopentyl-1H-1,2,4-triazol-3-yl)-4,5-dimethylaniline has a molecular weight of 256.35 g/mol, XLogP of 3.33, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-cyclopentyl-1H-1,2,4-triazol-3-yl)-4,5-dimethylaniline is sourced from PubChem (CID 63019648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).