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

C6H7N3O — CID 83872252

IUPAC4-cyclopropyl-1,2,4-triazole-3-carbaldehyde
SMILESO=Cc1nncn1C1CC1
InChIInChI=1S/C6H7N3O/c10-3-6-8-7-4-9(6)5-1-2-5/h3-5H,1-2H2
InChIKeyAZNXERIJHYHENT-UHFFFAOYSA-N
MW137.14 g/mol
LogP0.43
Rot. Bonds2

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

4-cyclopropyl-1,2,4-triazole-3-carbaldehyde (PubChem CID 83872252) has the molecular formula C6H7N3O and a molecular weight of 137.14 g/mol. Its IUPAC name is 4-cyclopropyl-1,2,4-triazole-3-carbaldehyde.

Molecular Properties

Compound Name4-cyclopropyl-1,2,4-triazole-3-carbaldehyde
PubChem CID83872252
Molecular FormulaC6H7N3O
Molecular Weight137.14 g/mol
Exact Mass137.06
IUPAC Name4-cyclopropyl-1,2,4-triazole-3-carbaldehyde
SMILESO=Cc1nncn1C1CC1
InChIInChI=1S/C6H7N3O/c10-3-6-8-7-4-9(6)5-1-2-5/h3-5H,1-2H2
InChIKeyAZNXERIJHYHENT-UHFFFAOYSA-N
XLogP0.43
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.14
LogP ≤ 50.43
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-cyclobutyl-1,2,4-triazole-3-carbaldehyde
CID 83872512
4-cyclopentyl-1,2,4-triazole-3-carbaldehyde
CID 83873342
4-amino-1,2,4-triazole-3-carbaldehyde
CID 174371172
3,5-dicyclopropylimidazol-4-amine
CID 62075331
(4-cyclopropyl-1,2,4-triazol-3-yl)methanamine
CID 50988415
3-(4-cyclopropyl-1,2,4-triazol-3-yl)cyclopentane-1-carboxylic acid
CID 103552376
3-(3-bicyclo[3.1.0]hexanyl)-4-cyclopropyl-1,2,4-triazole
CID 115394295
1-(4-cyclopropyl-1,2,4-triazol-3-yl)ethanamine
CID 62696618
3-chloro-4-(oxan-4-yl)-1,2,4-triazole
CID 63384863
4-cyclopropyl-3-(2-methylsulfonylpropan-2-yl)-1,2,4-triazole
CID 115394211
3-(oxan-4-yl)imidazole-4-carbaldehyde
CID 66148453
4-cyclopropyl-5-(dimethylamino)-1,2,4-triazole-3-carbaldehyde
CID 83875437

Frequently Asked Questions

What is the IUPAC name of 4-cyclopropyl-1,2,4-triazole-3-carbaldehyde?
The IUPAC name of 4-cyclopropyl-1,2,4-triazole-3-carbaldehyde (CID 83872252) is 4-cyclopropyl-1,2,4-triazole-3-carbaldehyde.
What is the SMILES notation for 4-cyclopropyl-1,2,4-triazole-3-carbaldehyde?
The canonical SMILES for 4-cyclopropyl-1,2,4-triazole-3-carbaldehyde is O=Cc1nncn1C1CC1.
What is the InChIKey of 4-cyclopropyl-1,2,4-triazole-3-carbaldehyde?
The InChIKey is AZNXERIJHYHENT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7N3O/c10-3-6-8-7-4-9(6)5-1-2-5/h3-5H,1-2H2.
What are the key properties of 4-cyclopropyl-1,2,4-triazole-3-carbaldehyde?
4-cyclopropyl-1,2,4-triazole-3-carbaldehyde has a molecular weight of 137.14 g/mol, XLogP of 0.43, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopropyl-1,2,4-triazole-3-carbaldehyde is sourced from PubChem (CID 83872252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).