4-cyclobutyl-1,2,4-triazole-3-carbaldehyde

C7H9N3O — CID 83872512

IUPAC4-cyclobutyl-1,2,4-triazole-3-carbaldehyde
SMILESO=Cc1nncn1C1CCC1
InChIInChI=1S/C7H9N3O/c11-4-7-9-8-5-10(7)6-2-1-3-6/h4-6H,1-3H2
InChIKeyZOKANQFGVJKLQX-UHFFFAOYSA-N
MW151.17 g/mol
LogP0.82
Rot. Bonds2

About 4-cyclobutyl-1,2,4-triazole-3-carbaldehyde

4-cyclobutyl-1,2,4-triazole-3-carbaldehyde (PubChem CID 83872512) has the molecular formula C7H9N3O and a molecular weight of 151.17 g/mol. Its IUPAC name is 4-cyclobutyl-1,2,4-triazole-3-carbaldehyde.

Molecular Properties

Compound Name4-cyclobutyl-1,2,4-triazole-3-carbaldehyde
PubChem CID83872512
Molecular FormulaC7H9N3O
Molecular Weight151.17 g/mol
Exact Mass151.07
IUPAC Name4-cyclobutyl-1,2,4-triazole-3-carbaldehyde
SMILESO=Cc1nncn1C1CCC1
InChIInChI=1S/C7H9N3O/c11-4-7-9-8-5-10(7)6-2-1-3-6/h4-6H,1-3H2
InChIKeyZOKANQFGVJKLQX-UHFFFAOYSA-N
XLogP0.82
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.17
LogP ≤ 50.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-cyclobutyl-1,2,4-triazole-3-carbaldehyde 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

4-cyclopentyl-1,2,4-triazole-3-carbaldehyde
CID 83873342
4-cyclopropyl-1,2,4-triazole-3-carbaldehyde
CID 83872252
4-cyclohexyl-1,2,4-triazol-3-amine
CID 62710575
2-(4-cyclobutyl-1,2,4-triazol-3-yl)ethanamine
CID 83873587
2-(4-cyclohexyl-1,2,4-triazol-3-yl)propan-2-amine
CID 62710577
1-cyclopentyltetrazole-5-carbaldehyde
CID 83873473
4-amino-1,2,4-triazole-3-carbaldehyde
CID 174371172
(4-cyclohexyl-1,2,4-triazol-3-yl)boronic acid
CID 172829194
3-cyclopentyl-5-cyclopropyltriazole-4-carbaldehyde
CID 105457641
1-(4-cyclopentyl-1,2,4-triazol-3-yl)butan-1-amine
CID 62711601
3-(4-cyclopentyl-1,2,4-triazol-3-yl)butan-1-amine
CID 80541547
3-chloro-4-(oxan-4-yl)-1,2,4-triazole
CID 63384863

Frequently Asked Questions

What is the IUPAC name of 4-cyclobutyl-1,2,4-triazole-3-carbaldehyde?
The IUPAC name of 4-cyclobutyl-1,2,4-triazole-3-carbaldehyde (CID 83872512) is 4-cyclobutyl-1,2,4-triazole-3-carbaldehyde.
What is the SMILES notation for 4-cyclobutyl-1,2,4-triazole-3-carbaldehyde?
The canonical SMILES for 4-cyclobutyl-1,2,4-triazole-3-carbaldehyde is O=Cc1nncn1C1CCC1.
What is the InChIKey of 4-cyclobutyl-1,2,4-triazole-3-carbaldehyde?
The InChIKey is ZOKANQFGVJKLQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N3O/c11-4-7-9-8-5-10(7)6-2-1-3-6/h4-6H,1-3H2.
What are the key properties of 4-cyclobutyl-1,2,4-triazole-3-carbaldehyde?
4-cyclobutyl-1,2,4-triazole-3-carbaldehyde has a molecular weight of 151.17 g/mol, XLogP of 0.82, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclobutyl-1,2,4-triazole-3-carbaldehyde is sourced from PubChem (CID 83872512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).