2-[2-(3,5-dimethyl-1,2,4-triazol-1-yl)ethoxy]ethanamine

C8H16N4O — CID 103482322

IUPAC2-[2-(3,5-dimethyl-1,2,4-triazol-1-yl)ethoxy]ethanamine
SMILESCc1nc(C)n(CCOCCN)n1
InChIInChI=1S/C8H16N4O/c1-7-10-8(2)12(11-7)4-6-13-5-3-9/h3-6,9H2,1-2H3
InChIKeyMGKHHJZXYKGUPX-UHFFFAOYSA-N
MW184.24 g/mol
LogP-0.13
Rot. Bonds5

About 2-[2-(3,5-dimethyl-1,2,4-triazol-1-yl)ethoxy]ethanamine

2-[2-(3,5-dimethyl-1,2,4-triazol-1-yl)ethoxy]ethanamine (PubChem CID 103482322) has the molecular formula C8H16N4O and a molecular weight of 184.24 g/mol. Its IUPAC name is 2-[2-(3,5-dimethyl-1,2,4-triazol-1-yl)ethoxy]ethanamine.

Molecular Properties

Compound Name2-[2-(3,5-dimethyl-1,2,4-triazol-1-yl)ethoxy]ethanamine
PubChem CID103482322
Molecular FormulaC8H16N4O
Molecular Weight184.24 g/mol
Exact Mass184.13
IUPAC Name2-[2-(3,5-dimethyl-1,2,4-triazol-1-yl)ethoxy]ethanamine
SMILESCc1nc(C)n(CCOCCN)n1
InChIInChI=1S/C8H16N4O/c1-7-10-8(2)12(11-7)4-6-13-5-3-9/h3-6,9H2,1-2H3
InChIKeyMGKHHJZXYKGUPX-UHFFFAOYSA-N
XLogP-0.13
TPSA65.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.24
LogP ≤ 5-0.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(3,5-dimethyl-1,2,4-triazol-1-yl)ethoxy]ethanamine?
The IUPAC name of 2-[2-(3,5-dimethyl-1,2,4-triazol-1-yl)ethoxy]ethanamine (CID 103482322) is 2-[2-(3,5-dimethyl-1,2,4-triazol-1-yl)ethoxy]ethanamine.
What is the SMILES notation for 2-[2-(3,5-dimethyl-1,2,4-triazol-1-yl)ethoxy]ethanamine?
The canonical SMILES for 2-[2-(3,5-dimethyl-1,2,4-triazol-1-yl)ethoxy]ethanamine is Cc1nc(C)n(CCOCCN)n1.
What is the InChIKey of 2-[2-(3,5-dimethyl-1,2,4-triazol-1-yl)ethoxy]ethanamine?
The InChIKey is MGKHHJZXYKGUPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N4O/c1-7-10-8(2)12(11-7)4-6-13-5-3-9/h3-6,9H2,1-2H3.
What are the key properties of 2-[2-(3,5-dimethyl-1,2,4-triazol-1-yl)ethoxy]ethanamine?
2-[2-(3,5-dimethyl-1,2,4-triazol-1-yl)ethoxy]ethanamine has a molecular weight of 184.24 g/mol, XLogP of -0.13, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3,5-dimethyl-1,2,4-triazol-1-yl)ethoxy]ethanamine is sourced from PubChem (CID 103482322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).