3,5-bis(prop-2-enyl)-1H-1,2,4-triazole

C8H11N3 — CID 67867832

IUPAC3,5-bis(prop-2-enyl)-1H-1,2,4-triazole
SMILESC=CCc1n[nH]c(CC=C)n1
InChIInChI=1S/C8H11N3/c1-3-5-7-9-8(6-4-2)11-10-7/h3-4H,1-2,5-6H2,(H,9,10,11)
InChIKeyZEJMCJGKOYUUSI-UHFFFAOYSA-N
MW149.20 g/mol
LogP1.26
Rot. Bonds4

About 3,5-bis(prop-2-enyl)-1H-1,2,4-triazole

3,5-bis(prop-2-enyl)-1H-1,2,4-triazole (PubChem CID 67867832) has the molecular formula C8H11N3 and a molecular weight of 149.20 g/mol. Its IUPAC name is 3,5-bis(prop-2-enyl)-1H-1,2,4-triazole.

Molecular Properties

Compound Name3,5-bis(prop-2-enyl)-1H-1,2,4-triazole
PubChem CID67867832
Molecular FormulaC8H11N3
Molecular Weight149.20 g/mol
Exact Mass149.10
IUPAC Name3,5-bis(prop-2-enyl)-1H-1,2,4-triazole
SMILESC=CCc1n[nH]c(CC=C)n1
InChIInChI=1S/C8H11N3/c1-3-5-7-9-8(6-4-2)11-10-7/h3-4H,1-2,5-6H2,(H,9,10,11)
InChIKeyZEJMCJGKOYUUSI-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'}

Analyze 3,5-bis(prop-2-enyl)-1H-1,2,4-triazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3,5-bis(prop-2-enyl)-1H-1,2,4-triazole?
The IUPAC name of 3,5-bis(prop-2-enyl)-1H-1,2,4-triazole (CID 67867832) is 3,5-bis(prop-2-enyl)-1H-1,2,4-triazole.
What is the SMILES notation for 3,5-bis(prop-2-enyl)-1H-1,2,4-triazole?
The canonical SMILES for 3,5-bis(prop-2-enyl)-1H-1,2,4-triazole is C=CCc1n[nH]c(CC=C)n1.
What is the InChIKey of 3,5-bis(prop-2-enyl)-1H-1,2,4-triazole?
The InChIKey is ZEJMCJGKOYUUSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3/c1-3-5-7-9-8(6-4-2)11-10-7/h3-4H,1-2,5-6H2,(H,9,10,11).
What are the key properties of 3,5-bis(prop-2-enyl)-1H-1,2,4-triazole?
3,5-bis(prop-2-enyl)-1H-1,2,4-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 3,5-bis(prop-2-enyl)-1H-1,2,4-triazole is sourced from PubChem (CID 67867832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).