5-cyclobutyl-2H-triazole-4-carbaldehyde

C7H9N3O — CID 105429558

IUPAC5-cyclobutyl-2H-triazole-4-carbaldehyde
SMILESO=Cc1n[nH]nc1C1CCC1
InChIInChI=1S/C7H9N3O/c11-4-6-7(9-10-8-6)5-2-1-3-5/h4-5H,1-3H2,(H,8,9,10)
InChIKeyGEWLASQSUQULEJ-UHFFFAOYSA-N
MW151.17 g/mol
LogP0.88
Rot. Bonds2

About 5-cyclobutyl-2H-triazole-4-carbaldehyde

5-cyclobutyl-2H-triazole-4-carbaldehyde (PubChem CID 105429558) has the molecular formula C7H9N3O and a molecular weight of 151.17 g/mol. Its IUPAC name is 5-cyclobutyl-2H-triazole-4-carbaldehyde.

Molecular Properties

Compound Name5-cyclobutyl-2H-triazole-4-carbaldehyde
PubChem CID105429558
Molecular FormulaC7H9N3O
Molecular Weight151.17 g/mol
Exact Mass151.07
IUPAC Name5-cyclobutyl-2H-triazole-4-carbaldehyde
SMILESO=Cc1n[nH]nc1C1CCC1
InChIInChI=1S/C7H9N3O/c11-4-6-7(9-10-8-6)5-2-1-3-5/h4-5H,1-3H2,(H,8,9,10)
InChIKeyGEWLASQSUQULEJ-UHFFFAOYSA-N
XLogP0.88
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.17
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-cyclobutyl-2H-triazole-4-carboxylic acid
CID 105433344
5-cyclopentyl-2H-triazol-4-amine
CID 105429790
5-cycloheptyl-2H-triazol-4-amine
CID 105439081
5-methyl-2H-triazole-4-carbaldehyde
CID 58120769
5-cyclopropyl-2H-triazol-4-amine
CID 79537683
4-bromo-5-cyclopropyl-2H-triazole
CID 71303694
2-bromo-5-cyclobutyl-1,3-thiazole-4-carbaldehyde
CID 84705591
2-cyclohexyl-5-methyl-1H-imidazole-4-carbaldehyde
CID 83637053
ethyl 5-cycloheptyl-2H-triazole-4-carboxylate
CID 165488917
2-bromo-5-cyclopentyl-1,3-thiazole-4-carbaldehyde
CID 84710146
5-cyclopropyl-2H-triazole-4-carbonitrile
CID 82377924
5-cyclopentyl-1,3-oxazole-4-carbaldehyde
CID 82414681

Frequently Asked Questions

What is the IUPAC name of 5-cyclobutyl-2H-triazole-4-carbaldehyde?
The IUPAC name of 5-cyclobutyl-2H-triazole-4-carbaldehyde (CID 105429558) is 5-cyclobutyl-2H-triazole-4-carbaldehyde.
What is the SMILES notation for 5-cyclobutyl-2H-triazole-4-carbaldehyde?
The canonical SMILES for 5-cyclobutyl-2H-triazole-4-carbaldehyde is O=Cc1n[nH]nc1C1CCC1.
What is the InChIKey of 5-cyclobutyl-2H-triazole-4-carbaldehyde?
The InChIKey is GEWLASQSUQULEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N3O/c11-4-6-7(9-10-8-6)5-2-1-3-5/h4-5H,1-3H2,(H,8,9,10).
What are the key properties of 5-cyclobutyl-2H-triazole-4-carbaldehyde?
5-cyclobutyl-2H-triazole-4-carbaldehyde has a molecular weight of 151.17 g/mol, XLogP of 0.88, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclobutyl-2H-triazole-4-carbaldehyde is sourced from PubChem (CID 105429558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).