5-[(1Z)-buta-1,3-dienyl]-1-ethenyltriazole

C8H9N3 — CID 143195752

IUPAC5-[(1Z)-buta-1,3-dienyl]-1-ethenyltriazole
SMILESC=C/C=C\c1cnnn1C=C
InChIInChI=1S/C8H9N3/c1-3-5-6-8-7-9-10-11(8)4-2/h3-7H,1-2H2/b6-5-
InChIKeyIPCZEWRQPFEQRV-WAYWQWQTSA-N
MW147.18 g/mol
LogP1.58
Rot. Bonds3

About 5-[(1Z)-buta-1,3-dienyl]-1-ethenyltriazole

5-[(1Z)-buta-1,3-dienyl]-1-ethenyltriazole (PubChem CID 143195752) has the molecular formula C8H9N3 and a molecular weight of 147.18 g/mol. Its IUPAC name is 5-[(1Z)-buta-1,3-dienyl]-1-ethenyltriazole.

Molecular Properties

Compound Name5-[(1Z)-buta-1,3-dienyl]-1-ethenyltriazole
PubChem CID143195752
Molecular FormulaC8H9N3
Molecular Weight147.18 g/mol
Exact Mass147.08
IUPAC Name5-[(1Z)-buta-1,3-dienyl]-1-ethenyltriazole
SMILESC=C/C=C\c1cnnn1C=C
InChIInChI=1S/C8H9N3/c1-3-5-6-8-7-9-10-11(8)4-2/h3-7H,1-2H2/b6-5-
InChIKeyIPCZEWRQPFEQRV-WAYWQWQTSA-N
XLogP1.58
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.18
LogP ≤ 51.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-[(3E,5E)-6-fluoroocta-1,3,5,7-tetraen-4-yl]-1-methyltriazole
CID 129203743
4-[(2E,4E)-5-fluorohepta-2,4,6-trien-3-yl]-1-methyltriazole
CID 166900186
(E)-3-[3-(2,2,2-trifluoroethyl)triazol-4-yl]prop-2-enenitrile
CID 169172564
7-(2H-triazol-4-yl)-3H-azepine
CID 91200060
4-Methyl-6H-pyrrolo[1,2-c][1,2,3]triazole
CID 12356912
1-Butyl-5-ethenyltriazole
CID 21679665
1,5-Bis(ethenyl)triazole
CID 12506802
4-[(1Z)-buta-1,3-dienyl]-2H-triazole
CID 89264274
1-methyl-5-[(1Z,3Z)-penta-1,3-dienyl]triazole
CID 89271238
1-Ethyl-4-penta-1,3-dien-3-yltriazole
CID 90775530
Triazolo[1,5-a]azocine
CID 91143004
5-Ethenyl-1-methyl-1h-1,2,3-triazole
CID 115011041

Frequently Asked Questions

What is the IUPAC name of 5-[(1Z)-buta-1,3-dienyl]-1-ethenyltriazole?
The IUPAC name of 5-[(1Z)-buta-1,3-dienyl]-1-ethenyltriazole (CID 143195752) is 5-[(1Z)-buta-1,3-dienyl]-1-ethenyltriazole.
What is the SMILES notation for 5-[(1Z)-buta-1,3-dienyl]-1-ethenyltriazole?
The canonical SMILES for 5-[(1Z)-buta-1,3-dienyl]-1-ethenyltriazole is C=C/C=C\c1cnnn1C=C.
What is the InChIKey of 5-[(1Z)-buta-1,3-dienyl]-1-ethenyltriazole?
The InChIKey is IPCZEWRQPFEQRV-WAYWQWQTSA-N. The full InChI is InChI=1S/C8H9N3/c1-3-5-6-8-7-9-10-11(8)4-2/h3-7H,1-2H2/b6-5-.
What are the key properties of 5-[(1Z)-buta-1,3-dienyl]-1-ethenyltriazole?
5-[(1Z)-buta-1,3-dienyl]-1-ethenyltriazole has a molecular weight of 147.18 g/mol, XLogP of 1.58, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1Z)-buta-1,3-dienyl]-1-ethenyltriazole is sourced from PubChem (CID 143195752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).