4-[(1Z)-buta-1,3-dienyl]-2H-triazole

C6H7N3 — CID 89264274

IUPAC4-[(1Z)-buta-1,3-dienyl]-2H-triazole
SMILESC=C/C=C\c1cn[nH]n1
InChIInChI=1S/C6H7N3/c1-2-3-4-6-5-7-9-8-6/h2-5H,1H2,(H,7,8,9)/b4-3-
InChIKeyQNXPEZSXQIALBF-ARJAWSKDSA-N
MW121.14 g/mol
LogP1.00
Rot. Bonds2

About 4-[(1Z)-buta-1,3-dienyl]-2H-triazole

4-[(1Z)-buta-1,3-dienyl]-2H-triazole (PubChem CID 89264274) has the molecular formula C6H7N3 and a molecular weight of 121.14 g/mol. Its IUPAC name is 4-[(1Z)-buta-1,3-dienyl]-2H-triazole.

Molecular Properties

Compound Name4-[(1Z)-buta-1,3-dienyl]-2H-triazole
PubChem CID89264274
Molecular FormulaC6H7N3
Molecular Weight121.14 g/mol
Exact Mass121.06
IUPAC Name4-[(1Z)-buta-1,3-dienyl]-2H-triazole
SMILESC=C/C=C\c1cn[nH]n1
InChIInChI=1S/C6H7N3/c1-2-3-4-6-5-7-9-8-6/h2-5H,1H2,(H,7,8,9)/b4-3-
InChIKeyQNXPEZSXQIALBF-ARJAWSKDSA-N
XLogP1.00
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500121.14
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-[(1Z)-buta-1,3-dienyl]-2H-triazole with MolForge

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

Launch Full Analysis

Related Compounds

Vinyltriazole
CID 21909725
Triazolyl-propene
CID 53864080
4-pent-1-enyl-2H-triazole
CID 72336706
Allenyl triazole
CID 88741978
(2-Bromovinyl)triazole
CID 132993001
4-(1-fluoroethenyl)-2H-triazole
CID 90354853
4-[(3Z)-5-fluorohexa-1,3,5-trien-2-yl]-2H-triazole
CID 144197269
4-(2-fluoroethenyl)-2H-triazole
CID 173548493
7-(2H-triazol-4-yl)-3H-azepine
CID 91200060
Dimeth-ylvinyltriazole
CID 129773803
Bistriazolyl ethylene
CID 129824799
Cyclopropenyl triazole
CID 171390926

Frequently Asked Questions

What is the IUPAC name of 4-[(1Z)-buta-1,3-dienyl]-2H-triazole?
The IUPAC name of 4-[(1Z)-buta-1,3-dienyl]-2H-triazole (CID 89264274) is 4-[(1Z)-buta-1,3-dienyl]-2H-triazole.
What is the SMILES notation for 4-[(1Z)-buta-1,3-dienyl]-2H-triazole?
The canonical SMILES for 4-[(1Z)-buta-1,3-dienyl]-2H-triazole is C=C/C=C\c1cn[nH]n1.
What is the InChIKey of 4-[(1Z)-buta-1,3-dienyl]-2H-triazole?
The InChIKey is QNXPEZSXQIALBF-ARJAWSKDSA-N. The full InChI is InChI=1S/C6H7N3/c1-2-3-4-6-5-7-9-8-6/h2-5H,1H2,(H,7,8,9)/b4-3-.
What are the key properties of 4-[(1Z)-buta-1,3-dienyl]-2H-triazole?
4-[(1Z)-buta-1,3-dienyl]-2H-triazole has a molecular weight of 121.14 g/mol, XLogP of 1.00, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1Z)-buta-1,3-dienyl]-2H-triazole is sourced from PubChem (CID 89264274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).