5-cyclopropyl-1-(2-ethoxyethyl)triazole-4-carbaldehyde

C10H15N3O2 — CID 165441845

IUPAC5-cyclopropyl-1-(2-ethoxyethyl)triazole-4-carbaldehyde
SMILESCCOCCn1nnc(C=O)c1C1CC1
InChIInChI=1S/C10H15N3O2/c1-2-15-6-5-13-10(8-3-4-8)9(7-14)11-12-13/h7-8H,2-6H2,1H3
InChIKeyNNJBVONVZQSTQM-UHFFFAOYSA-N
MW209.25 g/mol
LogP1.00
Rot. Bonds6

About 5-cyclopropyl-1-(2-ethoxyethyl)triazole-4-carbaldehyde

5-cyclopropyl-1-(2-ethoxyethyl)triazole-4-carbaldehyde (PubChem CID 165441845) has the molecular formula C10H15N3O2 and a molecular weight of 209.25 g/mol. Its IUPAC name is 5-cyclopropyl-1-(2-ethoxyethyl)triazole-4-carbaldehyde.

Molecular Properties

Compound Name5-cyclopropyl-1-(2-ethoxyethyl)triazole-4-carbaldehyde
PubChem CID165441845
Molecular FormulaC10H15N3O2
Molecular Weight209.25 g/mol
Exact Mass209.12
IUPAC Name5-cyclopropyl-1-(2-ethoxyethyl)triazole-4-carbaldehyde
SMILESCCOCCn1nnc(C=O)c1C1CC1
InChIInChI=1S/C10H15N3O2/c1-2-15-6-5-13-10(8-3-4-8)9(7-14)11-12-13/h7-8H,2-6H2,1H3
InChIKeyNNJBVONVZQSTQM-UHFFFAOYSA-N
XLogP1.00
TPSA57.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.25
LogP ≤ 51.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-1-(2-ethoxyethyl)triazole-4-carbaldehyde?
The IUPAC name of 5-cyclopropyl-1-(2-ethoxyethyl)triazole-4-carbaldehyde (CID 165441845) is 5-cyclopropyl-1-(2-ethoxyethyl)triazole-4-carbaldehyde.
What is the SMILES notation for 5-cyclopropyl-1-(2-ethoxyethyl)triazole-4-carbaldehyde?
The canonical SMILES for 5-cyclopropyl-1-(2-ethoxyethyl)triazole-4-carbaldehyde is CCOCCn1nnc(C=O)c1C1CC1.
What is the InChIKey of 5-cyclopropyl-1-(2-ethoxyethyl)triazole-4-carbaldehyde?
The InChIKey is NNJBVONVZQSTQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O2/c1-2-15-6-5-13-10(8-3-4-8)9(7-14)11-12-13/h7-8H,2-6H2,1H3.
What are the key properties of 5-cyclopropyl-1-(2-ethoxyethyl)triazole-4-carbaldehyde?
5-cyclopropyl-1-(2-ethoxyethyl)triazole-4-carbaldehyde has a molecular weight of 209.25 g/mol, XLogP of 1.00, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-1-(2-ethoxyethyl)triazole-4-carbaldehyde is sourced from PubChem (CID 165441845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).