2-methoxy-1-(3-prop-2-enyltriazol-4-yl)ethanamine

C8H14N4O — CID 165457739

IUPAC2-methoxy-1-(3-prop-2-enyltriazol-4-yl)ethanamine
SMILESC=CCn1nncc1C(N)COC
InChIInChI=1S/C8H14N4O/c1-3-4-12-8(5-10-11-12)7(9)6-13-2/h3,5,7H,1,4,6,9H2,2H3
InChIKeyOFIREEOCHYNDLX-UHFFFAOYSA-N
MW182.23 g/mol
LogP0.11
Rot. Bonds5

About 2-methoxy-1-(3-prop-2-enyltriazol-4-yl)ethanamine

2-methoxy-1-(3-prop-2-enyltriazol-4-yl)ethanamine (PubChem CID 165457739) has the molecular formula C8H14N4O and a molecular weight of 182.23 g/mol. Its IUPAC name is 2-methoxy-1-(3-prop-2-enyltriazol-4-yl)ethanamine.

Molecular Properties

Compound Name2-methoxy-1-(3-prop-2-enyltriazol-4-yl)ethanamine
PubChem CID165457739
Molecular FormulaC8H14N4O
Molecular Weight182.23 g/mol
Exact Mass182.12
IUPAC Name2-methoxy-1-(3-prop-2-enyltriazol-4-yl)ethanamine
SMILESC=CCn1nncc1C(N)COC
InChIInChI=1S/C8H14N4O/c1-3-4-12-8(5-10-11-12)7(9)6-13-2/h3,5,7H,1,4,6,9H2,2H3
InChIKeyOFIREEOCHYNDLX-UHFFFAOYSA-N
XLogP0.11
TPSA65.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.23
LogP ≤ 50.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-1-(3-prop-2-enyltriazol-4-yl)ethanamine?
The IUPAC name of 2-methoxy-1-(3-prop-2-enyltriazol-4-yl)ethanamine (CID 165457739) is 2-methoxy-1-(3-prop-2-enyltriazol-4-yl)ethanamine.
What is the SMILES notation for 2-methoxy-1-(3-prop-2-enyltriazol-4-yl)ethanamine?
The canonical SMILES for 2-methoxy-1-(3-prop-2-enyltriazol-4-yl)ethanamine is C=CCn1nncc1C(N)COC.
What is the InChIKey of 2-methoxy-1-(3-prop-2-enyltriazol-4-yl)ethanamine?
The InChIKey is OFIREEOCHYNDLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N4O/c1-3-4-12-8(5-10-11-12)7(9)6-13-2/h3,5,7H,1,4,6,9H2,2H3.
What are the key properties of 2-methoxy-1-(3-prop-2-enyltriazol-4-yl)ethanamine?
2-methoxy-1-(3-prop-2-enyltriazol-4-yl)ethanamine has a molecular weight of 182.23 g/mol, XLogP of 0.11, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-1-(3-prop-2-enyltriazol-4-yl)ethanamine is sourced from PubChem (CID 165457739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).