5-[(1Z,3Z)-penta-1,3-dienyl]-1H-1,2,4-triazole

C7H9N3 — CID 122674395

IUPAC5-[(1Z,3Z)-penta-1,3-dienyl]-1H-1,2,4-triazole
SMILESC/C=C\C=C/c1ncn[nH]1
InChIInChI=1S/C7H9N3/c1-2-3-4-5-7-8-6-9-10-7/h2-6H,1H3,(H,8,9,10)/b3-2-,5-4-
InChIKeyLETORQJEXWKKJF-LDIADDGTSA-N
MW135.17 g/mol
LogP1.39
Rot. Bonds2

About 5-[(1Z,3Z)-penta-1,3-dienyl]-1H-1,2,4-triazole

5-[(1Z,3Z)-penta-1,3-dienyl]-1H-1,2,4-triazole (PubChem CID 122674395) has the molecular formula C7H9N3 and a molecular weight of 135.17 g/mol. Its IUPAC name is 5-[(1Z,3Z)-penta-1,3-dienyl]-1H-1,2,4-triazole.

Molecular Properties

Compound Name5-[(1Z,3Z)-penta-1,3-dienyl]-1H-1,2,4-triazole
PubChem CID122674395
Molecular FormulaC7H9N3
Molecular Weight135.17 g/mol
Exact Mass135.08
IUPAC Name5-[(1Z,3Z)-penta-1,3-dienyl]-1H-1,2,4-triazole
SMILESC/C=C\C=C/c1ncn[nH]1
InChIInChI=1S/C7H9N3/c1-2-3-4-5-7-8-6-9-10-7/h2-6H,1H3,(H,8,9,10)/b3-2-,5-4-
InChIKeyLETORQJEXWKKJF-LDIADDGTSA-N
XLogP1.39
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500135.17
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-[(1Z,3Z)-penta-1,3-dienyl]-1H-1,2,4-triazole?
The IUPAC name of 5-[(1Z,3Z)-penta-1,3-dienyl]-1H-1,2,4-triazole (CID 122674395) is 5-[(1Z,3Z)-penta-1,3-dienyl]-1H-1,2,4-triazole.
What is the SMILES notation for 5-[(1Z,3Z)-penta-1,3-dienyl]-1H-1,2,4-triazole?
The canonical SMILES for 5-[(1Z,3Z)-penta-1,3-dienyl]-1H-1,2,4-triazole is C/C=C\C=C/c1ncn[nH]1.
What is the InChIKey of 5-[(1Z,3Z)-penta-1,3-dienyl]-1H-1,2,4-triazole?
The InChIKey is LETORQJEXWKKJF-LDIADDGTSA-N. The full InChI is InChI=1S/C7H9N3/c1-2-3-4-5-7-8-6-9-10-7/h2-6H,1H3,(H,8,9,10)/b3-2-,5-4-.
What are the key properties of 5-[(1Z,3Z)-penta-1,3-dienyl]-1H-1,2,4-triazole?
5-[(1Z,3Z)-penta-1,3-dienyl]-1H-1,2,4-triazole has a molecular weight of 135.17 g/mol, XLogP of 1.39, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1Z,3Z)-penta-1,3-dienyl]-1H-1,2,4-triazole is sourced from PubChem (CID 122674395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).