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

C10H15N3 — CID 143195751

IUPAC5-[(1Z)-buta-1,3-dienyl]-1-ethenyltriazole;ethane
SMILESC=C/C=C\c1cnnn1C=C.CC
InChIInChI=1S/C8H9N3.C2H6/c1-3-5-6-8-7-9-10-11(8)4-2;1-2/h3-7H,1-2H2;1-2H3/b6-5-;
InChIKeyZBIWYWGGJLMRLY-YSMBQZINSA-N
MW177.25 g/mol
LogP2.60
Rot. Bonds3

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

5-[(1Z)-buta-1,3-dienyl]-1-ethenyltriazole;ethane (PubChem CID 143195751) has the molecular formula C10H15N3 and a molecular weight of 177.25 g/mol. Its IUPAC name is 5-[(1Z)-buta-1,3-dienyl]-1-ethenyltriazole;ethane.

Molecular Properties

Compound Name5-[(1Z)-buta-1,3-dienyl]-1-ethenyltriazole;ethane
PubChem CID143195751
Molecular FormulaC10H15N3
Molecular Weight177.25 g/mol
Exact Mass177.13
IUPAC Name5-[(1Z)-buta-1,3-dienyl]-1-ethenyltriazole;ethane
SMILESC=C/C=C\c1cnnn1C=C.CC
InChIInChI=1S/C8H9N3.C2H6/c1-3-5-6-8-7-9-10-11(8)4-2;1-2/h3-7H,1-2H2;1-2H3/b6-5-;
InChIKeyZBIWYWGGJLMRLY-YSMBQZINSA-N
XLogP2.60
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.25
LogP ≤ 52.60
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

Triazolyl-propene
CID 53864080
4-pent-1-enyl-2H-triazole
CID 72336706
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
4,5-dimethyl-6H-pyrrolo[1,2-c][1,2,3]triazole
CID 12356911
4-Methyl-6H-pyrrolo[1,2-c][1,2,3]triazole
CID 12356912
1-Butyl-4-ethenyltriazole
CID 21679664
1-Butyl-5-ethenyltriazole
CID 21679665
1,5-Bis(ethenyl)triazole
CID 12506802
4-ethenyl-1-methyl-1H-1,2,3-triazole
CID 54142688
4-[(E)-prop-1-enyl]-2H-triazole
CID 57261126

Frequently Asked Questions

What is the IUPAC name of 5-[(1Z)-buta-1,3-dienyl]-1-ethenyltriazole;ethane?
The IUPAC name of 5-[(1Z)-buta-1,3-dienyl]-1-ethenyltriazole;ethane (CID 143195751) is 5-[(1Z)-buta-1,3-dienyl]-1-ethenyltriazole;ethane.
What is the SMILES notation for 5-[(1Z)-buta-1,3-dienyl]-1-ethenyltriazole;ethane?
The canonical SMILES for 5-[(1Z)-buta-1,3-dienyl]-1-ethenyltriazole;ethane is C=C/C=C\c1cnnn1C=C.CC.
What is the InChIKey of 5-[(1Z)-buta-1,3-dienyl]-1-ethenyltriazole;ethane?
The InChIKey is ZBIWYWGGJLMRLY-YSMBQZINSA-N. The full InChI is InChI=1S/C8H9N3.C2H6/c1-3-5-6-8-7-9-10-11(8)4-2;1-2/h3-7H,1-2H2;1-2H3/b6-5-;.
What are the key properties of 5-[(1Z)-buta-1,3-dienyl]-1-ethenyltriazole;ethane?
5-[(1Z)-buta-1,3-dienyl]-1-ethenyltriazole;ethane has a molecular weight of 177.25 g/mol, XLogP of 2.60, 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;ethane is sourced from PubChem (CID 143195751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).