1-[(E)-prop-1-enyl]triazole

C5H7N3 — CID 12661202

IUPAC1-[(E)-prop-1-enyl]triazole
SMILESC/C=C/n1ccnn1
InChIInChI=1S/C5H7N3/c1-2-4-8-5-3-6-7-8/h2-5H,1H3/b4-2+
InChIKeyWXTMXECALQBRJF-DUXPYHPUSA-N
MW109.13 g/mol
LogP0.77
Rot. Bonds1

About 1-[(E)-prop-1-enyl]triazole

1-[(E)-prop-1-enyl]triazole (PubChem CID 12661202) has the molecular formula C5H7N3 and a molecular weight of 109.13 g/mol. Its IUPAC name is 1-[(E)-prop-1-enyl]triazole.

Molecular Properties

Compound Name1-[(E)-prop-1-enyl]triazole
PubChem CID12661202
Molecular FormulaC5H7N3
Molecular Weight109.13 g/mol
Exact Mass109.06
IUPAC Name1-[(E)-prop-1-enyl]triazole
SMILESC/C=C/n1ccnn1
InChIInChI=1S/C5H7N3/c1-2-4-8-5-3-6-7-8/h2-5H,1H3/b4-2+
InChIKeyWXTMXECALQBRJF-DUXPYHPUSA-N
XLogP0.77
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500109.13
LogP ≤ 50.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(E)-prop-1-enyl]triazole?
The IUPAC name of 1-[(E)-prop-1-enyl]triazole (CID 12661202) is 1-[(E)-prop-1-enyl]triazole.
What is the SMILES notation for 1-[(E)-prop-1-enyl]triazole?
The canonical SMILES for 1-[(E)-prop-1-enyl]triazole is C/C=C/n1ccnn1.
What is the InChIKey of 1-[(E)-prop-1-enyl]triazole?
The InChIKey is WXTMXECALQBRJF-DUXPYHPUSA-N. The full InChI is InChI=1S/C5H7N3/c1-2-4-8-5-3-6-7-8/h2-5H,1H3/b4-2+.
What are the key properties of 1-[(E)-prop-1-enyl]triazole?
1-[(E)-prop-1-enyl]triazole has a molecular weight of 109.13 g/mol, XLogP of 0.77, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-prop-1-enyl]triazole is sourced from PubChem (CID 12661202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).