1-methoxy-2-(1,2,4-triazol-1-yl)ethanamine

C5H9N4O- — CID 91492636

IUPAC1-methoxy-2-(1,2,4-triazol-1-yl)ethanamine
SMILESCO[C-](N)Cn1cncn1
InChIInChI=1S/C5H9N4O/c1-10-5(6)2-9-4-7-3-8-9/h3-4H,2,6H2,1H3/q-1
InChIKeyIZTKHGOJVGGDTJ-UHFFFAOYSA-N
MW141.15 g/mol
LogP-0.63
Rot. Bonds3

About 1-methoxy-2-(1,2,4-triazol-1-yl)ethanamine

1-methoxy-2-(1,2,4-triazol-1-yl)ethanamine (PubChem CID 91492636) has the molecular formula C5H9N4O- and a molecular weight of 141.15 g/mol. Its IUPAC name is 1-methoxy-2-(1,2,4-triazol-1-yl)ethanamine.

Molecular Properties

Compound Name1-methoxy-2-(1,2,4-triazol-1-yl)ethanamine
PubChem CID91492636
Molecular FormulaC5H9N4O-
Molecular Weight141.15 g/mol
Exact Mass141.08
IUPAC Name1-methoxy-2-(1,2,4-triazol-1-yl)ethanamine
SMILESCO[C-](N)Cn1cncn1
InChIInChI=1S/C5H9N4O/c1-10-5(6)2-9-4-7-3-8-9/h3-4H,2,6H2,1H3/q-1
InChIKeyIZTKHGOJVGGDTJ-UHFFFAOYSA-N
XLogP-0.63
TPSA65.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.15
LogP ≤ 5-0.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-methoxy-2-(1,2,4-triazol-1-yl)ethanamine?
The IUPAC name of 1-methoxy-2-(1,2,4-triazol-1-yl)ethanamine (CID 91492636) is 1-methoxy-2-(1,2,4-triazol-1-yl)ethanamine.
What is the SMILES notation for 1-methoxy-2-(1,2,4-triazol-1-yl)ethanamine?
The canonical SMILES for 1-methoxy-2-(1,2,4-triazol-1-yl)ethanamine is CO[C-](N)Cn1cncn1.
What is the InChIKey of 1-methoxy-2-(1,2,4-triazol-1-yl)ethanamine?
The InChIKey is IZTKHGOJVGGDTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9N4O/c1-10-5(6)2-9-4-7-3-8-9/h3-4H,2,6H2,1H3/q-1.
What are the key properties of 1-methoxy-2-(1,2,4-triazol-1-yl)ethanamine?
1-methoxy-2-(1,2,4-triazol-1-yl)ethanamine has a molecular weight of 141.15 g/mol, XLogP of -0.63, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-2-(1,2,4-triazol-1-yl)ethanamine is sourced from PubChem (CID 91492636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).