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

C8H11N3O — CID 83873342

IUPAC4-cyclopentyl-1,2,4-triazole-3-carbaldehyde
SMILESO=Cc1nncn1C1CCCC1
InChIInChI=1S/C8H11N3O/c12-5-8-10-9-6-11(8)7-3-1-2-4-7/h5-7H,1-4H2
InChIKeyZPNAEROKUPTMQC-UHFFFAOYSA-N
MW165.20 g/mol
LogP1.21
Rot. Bonds2

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

4-cyclopentyl-1,2,4-triazole-3-carbaldehyde (PubChem CID 83873342) has the molecular formula C8H11N3O and a molecular weight of 165.20 g/mol. Its IUPAC name is 4-cyclopentyl-1,2,4-triazole-3-carbaldehyde.

Molecular Properties

Compound Name4-cyclopentyl-1,2,4-triazole-3-carbaldehyde
PubChem CID83873342
Molecular FormulaC8H11N3O
Molecular Weight165.20 g/mol
Exact Mass165.09
IUPAC Name4-cyclopentyl-1,2,4-triazole-3-carbaldehyde
SMILESO=Cc1nncn1C1CCCC1
InChIInChI=1S/C8H11N3O/c12-5-8-10-9-6-11(8)7-3-1-2-4-7/h5-7H,1-4H2
InChIKeyZPNAEROKUPTMQC-UHFFFAOYSA-N
XLogP1.21
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.20
LogP ≤ 51.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-ethyl-4H-1,2,4-triazole-3-carbaldehyde
CID 59049280
4-(propan-2-yl)-4H-1,2,4-triazole-3-carbaldehyde
CID 83872307
1-propyl-1H-1,2,4-triazole-5-carbaldehyde
CID 72206902
4-cyclopropyl-4H-1,2,4-triazole-3-carbaldehyde
CID 83872252
1-(propan-2-yl)-1H-1,2,4-triazole-5-carbaldehyde
CID 13624279
4-propyl-4H-1,2,4-triazole-3-carbaldehyde
CID 22938686
1-methyl-3-(2-methylpyrrolidin-1-yl)-1H-1,2,4-triazole-5-carbaldehyde
CID 90017041
1-Propan-2-yl-1,2,4-triazole-3-carbaldehyde
CID 140659843
2-Pyrrolidin-1-yl-1,2,4-triazole-3-carbaldehyde
CID 141381927
Acetaldehyde;3-butyl-4-methyl-1,2,4-triazole;ethane
CID 168256510
4-Cyclohexyl-4H-1,2,4-triazole-3-carbaldehyde
CID 11041298
1-(Cyclobutylmethyl)-1H-1,2,4-triazole-5-carbaldehyde
CID 72206903

Frequently Asked Questions

What is the IUPAC name of 4-cyclopentyl-1,2,4-triazole-3-carbaldehyde?
The IUPAC name of 4-cyclopentyl-1,2,4-triazole-3-carbaldehyde (CID 83873342) is 4-cyclopentyl-1,2,4-triazole-3-carbaldehyde.
What is the SMILES notation for 4-cyclopentyl-1,2,4-triazole-3-carbaldehyde?
The canonical SMILES for 4-cyclopentyl-1,2,4-triazole-3-carbaldehyde is O=Cc1nncn1C1CCCC1.
What is the InChIKey of 4-cyclopentyl-1,2,4-triazole-3-carbaldehyde?
The InChIKey is ZPNAEROKUPTMQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3O/c12-5-8-10-9-6-11(8)7-3-1-2-4-7/h5-7H,1-4H2.
What are the key properties of 4-cyclopentyl-1,2,4-triazole-3-carbaldehyde?
4-cyclopentyl-1,2,4-triazole-3-carbaldehyde has a molecular weight of 165.20 g/mol, XLogP of 1.21, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopentyl-1,2,4-triazole-3-carbaldehyde is sourced from PubChem (CID 83873342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).