4-[(E)-3-methoxyprop-2-enyl]-1,2,4-triazole

C6H9N3O — CID 58710145

IUPAC4-[(E)-3-methoxyprop-2-enyl]-1,2,4-triazole
SMILESCO/C=C/Cn1cnnc1
InChIInChI=1S/C6H9N3O/c1-10-4-2-3-9-5-7-8-6-9/h2,4-6H,3H2,1H3/b4-2+
InChIKeyCANFBUCYLKUBEJ-DUXPYHPUSA-N
MW139.16 g/mol
LogP0.44
Rot. Bonds3

About 4-[(E)-3-methoxyprop-2-enyl]-1,2,4-triazole

4-[(E)-3-methoxyprop-2-enyl]-1,2,4-triazole (PubChem CID 58710145) has the molecular formula C6H9N3O and a molecular weight of 139.16 g/mol. Its IUPAC name is 4-[(E)-3-methoxyprop-2-enyl]-1,2,4-triazole.

Molecular Properties

Compound Name4-[(E)-3-methoxyprop-2-enyl]-1,2,4-triazole
PubChem CID58710145
Molecular FormulaC6H9N3O
Molecular Weight139.16 g/mol
Exact Mass139.07
IUPAC Name4-[(E)-3-methoxyprop-2-enyl]-1,2,4-triazole
SMILESCO/C=C/Cn1cnnc1
InChIInChI=1S/C6H9N3O/c1-10-4-2-3-9-5-7-8-6-9/h2,4-6H,3H2,1H3/b4-2+
InChIKeyCANFBUCYLKUBEJ-DUXPYHPUSA-N
XLogP0.44
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.16
LogP ≤ 50.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[(E)-3-methoxyprop-2-enyl]-1,2,4-triazole?
The IUPAC name of 4-[(E)-3-methoxyprop-2-enyl]-1,2,4-triazole (CID 58710145) is 4-[(E)-3-methoxyprop-2-enyl]-1,2,4-triazole.
What is the SMILES notation for 4-[(E)-3-methoxyprop-2-enyl]-1,2,4-triazole?
The canonical SMILES for 4-[(E)-3-methoxyprop-2-enyl]-1,2,4-triazole is CO/C=C/Cn1cnnc1.
What is the InChIKey of 4-[(E)-3-methoxyprop-2-enyl]-1,2,4-triazole?
The InChIKey is CANFBUCYLKUBEJ-DUXPYHPUSA-N. The full InChI is InChI=1S/C6H9N3O/c1-10-4-2-3-9-5-7-8-6-9/h2,4-6H,3H2,1H3/b4-2+.
What are the key properties of 4-[(E)-3-methoxyprop-2-enyl]-1,2,4-triazole?
4-[(E)-3-methoxyprop-2-enyl]-1,2,4-triazole has a molecular weight of 139.16 g/mol, XLogP of 0.44, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-3-methoxyprop-2-enyl]-1,2,4-triazole is sourced from PubChem (CID 58710145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).