4,5-bis(prop-2-enyl)-2H-triazole

C8H11N3 — CID 11321035

IUPAC4,5-bis(prop-2-enyl)-2H-triazole
SMILESC=CCc1n[nH]nc1CC=C
InChIInChI=1S/C8H11N3/c1-3-5-7-8(6-4-2)10-11-9-7/h3-4H,1-2,5-6H2,(H,9,10,11)
InChIKeyFXMROYKULOZZIV-UHFFFAOYSA-N
MW149.20 g/mol
LogP1.26
Rot. Bonds4

About 4,5-bis(prop-2-enyl)-2H-triazole

4,5-bis(prop-2-enyl)-2H-triazole (PubChem CID 11321035) has the molecular formula C8H11N3 and a molecular weight of 149.20 g/mol. Its IUPAC name is 4,5-bis(prop-2-enyl)-2H-triazole.

Molecular Properties

Compound Name4,5-bis(prop-2-enyl)-2H-triazole
PubChem CID11321035
Molecular FormulaC8H11N3
Molecular Weight149.20 g/mol
Exact Mass149.10
IUPAC Name4,5-bis(prop-2-enyl)-2H-triazole
SMILESC=CCc1n[nH]nc1CC=C
InChIInChI=1S/C8H11N3/c1-3-5-7-8(6-4-2)10-11-9-7/h3-4H,1-2,5-6H2,(H,9,10,11)
InChIKeyFXMROYKULOZZIV-UHFFFAOYSA-N
XLogP1.26
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.20
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 4,5-bis(prop-2-enyl)-2H-triazole?
The IUPAC name of 4,5-bis(prop-2-enyl)-2H-triazole (CID 11321035) is 4,5-bis(prop-2-enyl)-2H-triazole.
What is the SMILES notation for 4,5-bis(prop-2-enyl)-2H-triazole?
The canonical SMILES for 4,5-bis(prop-2-enyl)-2H-triazole is C=CCc1n[nH]nc1CC=C.
What is the InChIKey of 4,5-bis(prop-2-enyl)-2H-triazole?
The InChIKey is FXMROYKULOZZIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3/c1-3-5-7-8(6-4-2)10-11-9-7/h3-4H,1-2,5-6H2,(H,9,10,11).
What are the key properties of 4,5-bis(prop-2-enyl)-2H-triazole?
4,5-bis(prop-2-enyl)-2H-triazole has a molecular weight of 149.20 g/mol, XLogP of 1.26, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-bis(prop-2-enyl)-2H-triazole is sourced from PubChem (CID 11321035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).