aniline;3-(2-ethylbutyl)-4-methyl-1,2,4-triazole

C15H24N4 — CID 178119125

IUPACaniline;3-(2-ethylbutyl)-4-methyl-1,2,4-triazole
SMILESCCC(CC)Cc1nncn1C.Nc1ccccc1
InChIInChI=1S/C9H17N3.C6H7N/c1-4-8(5-2)6-9-11-10-7-12(9)3;7-6-4-2-1-3-5-6/h7-8H,4-6H2,1-3H3;1-5H,7H2
InChIKeyKMUGFDFQKXTDOU-UHFFFAOYSA-N
MW260.38 g/mol
LogP3.06
Rot. Bonds4

About aniline;3-(2-ethylbutyl)-4-methyl-1,2,4-triazole

aniline;3-(2-ethylbutyl)-4-methyl-1,2,4-triazole (PubChem CID 178119125) has the molecular formula C15H24N4 and a molecular weight of 260.38 g/mol. Its IUPAC name is aniline;3-(2-ethylbutyl)-4-methyl-1,2,4-triazole.

Molecular Properties

Compound Nameaniline;3-(2-ethylbutyl)-4-methyl-1,2,4-triazole
PubChem CID178119125
Molecular FormulaC15H24N4
Molecular Weight260.38 g/mol
Exact Mass260.20
IUPAC Nameaniline;3-(2-ethylbutyl)-4-methyl-1,2,4-triazole
SMILESCCC(CC)Cc1nncn1C.Nc1ccccc1
InChIInChI=1S/C9H17N3.C6H7N/c1-4-8(5-2)6-9-11-10-7-12(9)3;7-6-4-2-1-3-5-6/h7-8H,4-6H2,1-3H3;1-5H,7H2
InChIKeyKMUGFDFQKXTDOU-UHFFFAOYSA-N
XLogP3.06
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 53.06
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 aniline;3-(2-ethylbutyl)-4-methyl-1,2,4-triazole?
The IUPAC name of aniline;3-(2-ethylbutyl)-4-methyl-1,2,4-triazole (CID 178119125) is aniline;3-(2-ethylbutyl)-4-methyl-1,2,4-triazole.
What is the SMILES notation for aniline;3-(2-ethylbutyl)-4-methyl-1,2,4-triazole?
The canonical SMILES for aniline;3-(2-ethylbutyl)-4-methyl-1,2,4-triazole is CCC(CC)Cc1nncn1C.Nc1ccccc1.
What is the InChIKey of aniline;3-(2-ethylbutyl)-4-methyl-1,2,4-triazole?
The InChIKey is KMUGFDFQKXTDOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3.C6H7N/c1-4-8(5-2)6-9-11-10-7-12(9)3;7-6-4-2-1-3-5-6/h7-8H,4-6H2,1-3H3;1-5H,7H2.
What are the key properties of aniline;3-(2-ethylbutyl)-4-methyl-1,2,4-triazole?
aniline;3-(2-ethylbutyl)-4-methyl-1,2,4-triazole has a molecular weight of 260.38 g/mol, XLogP of 3.06, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for aniline;3-(2-ethylbutyl)-4-methyl-1,2,4-triazole is sourced from PubChem (CID 178119125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).