4-cyclopropyl-5-morpholin-4-yl-1,2,4-triazole-3-carbaldehyde

C10H14N4O2 — CID 83890539

IUPAC4-cyclopropyl-5-morpholin-4-yl-1,2,4-triazole-3-carbaldehyde
SMILESO=Cc1nnc(N2CCOCC2)n1C1CC1
InChIInChI=1S/C10H14N4O2/c15-7-9-11-12-10(14(9)8-1-2-8)13-3-5-16-6-4-13/h7-8H,1-6H2
InChIKeyYAUGFNAXXDDHRC-UHFFFAOYSA-N
MW222.25 g/mol
LogP0.26
Rot. Bonds3

About 4-cyclopropyl-5-morpholin-4-yl-1,2,4-triazole-3-carbaldehyde

4-cyclopropyl-5-morpholin-4-yl-1,2,4-triazole-3-carbaldehyde (PubChem CID 83890539) has the molecular formula C10H14N4O2 and a molecular weight of 222.25 g/mol. Its IUPAC name is 4-cyclopropyl-5-morpholin-4-yl-1,2,4-triazole-3-carbaldehyde.

Molecular Properties

Compound Name4-cyclopropyl-5-morpholin-4-yl-1,2,4-triazole-3-carbaldehyde
PubChem CID83890539
Molecular FormulaC10H14N4O2
Molecular Weight222.25 g/mol
Exact Mass222.11
IUPAC Name4-cyclopropyl-5-morpholin-4-yl-1,2,4-triazole-3-carbaldehyde
SMILESO=Cc1nnc(N2CCOCC2)n1C1CC1
InChIInChI=1S/C10H14N4O2/c15-7-9-11-12-10(14(9)8-1-2-8)13-3-5-16-6-4-13/h7-8H,1-6H2
InChIKeyYAUGFNAXXDDHRC-UHFFFAOYSA-N
XLogP0.26
TPSA60.25 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.25
LogP ≤ 50.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 4-cyclopropyl-5-morpholin-4-yl-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

Frequently Asked Questions

What is the IUPAC name of 4-cyclopropyl-5-morpholin-4-yl-1,2,4-triazole-3-carbaldehyde?
The IUPAC name of 4-cyclopropyl-5-morpholin-4-yl-1,2,4-triazole-3-carbaldehyde (CID 83890539) is 4-cyclopropyl-5-morpholin-4-yl-1,2,4-triazole-3-carbaldehyde.
What is the SMILES notation for 4-cyclopropyl-5-morpholin-4-yl-1,2,4-triazole-3-carbaldehyde?
The canonical SMILES for 4-cyclopropyl-5-morpholin-4-yl-1,2,4-triazole-3-carbaldehyde is O=Cc1nnc(N2CCOCC2)n1C1CC1.
What is the InChIKey of 4-cyclopropyl-5-morpholin-4-yl-1,2,4-triazole-3-carbaldehyde?
The InChIKey is YAUGFNAXXDDHRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4O2/c15-7-9-11-12-10(14(9)8-1-2-8)13-3-5-16-6-4-13/h7-8H,1-6H2.
What are the key properties of 4-cyclopropyl-5-morpholin-4-yl-1,2,4-triazole-3-carbaldehyde?
4-cyclopropyl-5-morpholin-4-yl-1,2,4-triazole-3-carbaldehyde has a molecular weight of 222.25 g/mol, XLogP of 0.26, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopropyl-5-morpholin-4-yl-1,2,4-triazole-3-carbaldehyde is sourced from PubChem (CID 83890539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).