5-tert-butyl-1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]triazol-4-amine

C13H26N4O3 — CID 104568872

IUPAC5-tert-butyl-1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]triazol-4-amine
SMILESCOCCOCCOCCn1nnc(N)c1C(C)(C)C
InChIInChI=1S/C13H26N4O3/c1-13(2,3)11-12(14)15-16-17(11)5-6-19-9-10-20-8-7-18-4/h5-10,14H2,1-4H3
InChIKeyMKPOVGPMZLNMIW-UHFFFAOYSA-N
MW286.38 g/mol
LogP0.84
Rot. Bonds9

About 5-tert-butyl-1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]triazol-4-amine

5-tert-butyl-1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]triazol-4-amine (PubChem CID 104568872) has the molecular formula C13H26N4O3 and a molecular weight of 286.38 g/mol. Its IUPAC name is 5-tert-butyl-1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]triazol-4-amine.

Molecular Properties

Compound Name5-tert-butyl-1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]triazol-4-amine
PubChem CID104568872
Molecular FormulaC13H26N4O3
Molecular Weight286.38 g/mol
Exact Mass286.20
IUPAC Name5-tert-butyl-1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]triazol-4-amine
SMILESCOCCOCCOCCn1nnc(N)c1C(C)(C)C
InChIInChI=1S/C13H26N4O3/c1-13(2,3)11-12(14)15-16-17(11)5-6-19-9-10-20-8-7-18-4/h5-10,14H2,1-4H3
InChIKeyMKPOVGPMZLNMIW-UHFFFAOYSA-N
XLogP0.84
TPSA84.42 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 50.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-ethyl-1-[2-(2-methoxyethoxy)ethyl]triazol-4-amine
CID 79542238
1-[2-(2-methoxyethoxy)ethyl]tetrazol-5-amine
CID 79506222
5-tert-butyl-1-(3,3,3-trifluoropropyl)triazol-4-amine
CID 79548263
5-tert-butyl-1-[2-(4-chlorophenoxy)ethyl]triazol-4-amine
CID 79542486
5-tert-butyl-1-(2-pyrrolidin-1-ylethyl)triazol-4-amine
CID 79547920
5-tert-butyl-1-[2-(oxan-2-yloxy)ethyl]triazol-4-amine
CID 79547917
5-tert-butyl-1-(3-ethylsulfonylpropyl)triazol-4-amine
CID 79548259
1-(4-methoxybutyl)-5-methyltriazol-4-amine
CID 104650829
5-tert-butyl-1-(2-pyridin-2-ylethyl)triazol-4-amine
CID 79547302
1-[2-(4-amino-5-tert-butyltriazol-1-yl)ethyl]pyridin-2-one
CID 82907369
5-tert-butyl-1-[2-(oxolan-2-yl)ethyl]triazol-4-amine
CID 79547485
1,5-ditert-butyltriazol-4-amine
CID 103482213

Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]triazol-4-amine?
The IUPAC name of 5-tert-butyl-1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]triazol-4-amine (CID 104568872) is 5-tert-butyl-1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]triazol-4-amine.
What is the SMILES notation for 5-tert-butyl-1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]triazol-4-amine?
The canonical SMILES for 5-tert-butyl-1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]triazol-4-amine is COCCOCCOCCn1nnc(N)c1C(C)(C)C.
What is the InChIKey of 5-tert-butyl-1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]triazol-4-amine?
The InChIKey is MKPOVGPMZLNMIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N4O3/c1-13(2,3)11-12(14)15-16-17(11)5-6-19-9-10-20-8-7-18-4/h5-10,14H2,1-4H3.
What are the key properties of 5-tert-butyl-1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]triazol-4-amine?
5-tert-butyl-1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]triazol-4-amine has a molecular weight of 286.38 g/mol, XLogP of 0.84, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]triazol-4-amine is sourced from PubChem (CID 104568872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).