1-(2-morpholin-4-ylethyl)triazole-4-carbaldehyde

C9H14N4O2 — CID 66216375

IUPAC1-(2-morpholin-4-ylethyl)triazole-4-carbaldehyde
SMILESO=Cc1cn(CCN2CCOCC2)nn1
InChIInChI=1S/C9H14N4O2/c14-8-9-7-13(11-10-9)2-1-12-3-5-15-6-4-12/h7-8H,1-6H2
InChIKeyFIZRFRJKJFNLBY-UHFFFAOYSA-N
MW210.24 g/mol
LogP-0.58
Rot. Bonds4

About 1-(2-morpholin-4-ylethyl)triazole-4-carbaldehyde

1-(2-morpholin-4-ylethyl)triazole-4-carbaldehyde (PubChem CID 66216375) has the molecular formula C9H14N4O2 and a molecular weight of 210.24 g/mol. Its IUPAC name is 1-(2-morpholin-4-ylethyl)triazole-4-carbaldehyde.

Molecular Properties

Compound Name1-(2-morpholin-4-ylethyl)triazole-4-carbaldehyde
PubChem CID66216375
Molecular FormulaC9H14N4O2
Molecular Weight210.24 g/mol
Exact Mass210.11
IUPAC Name1-(2-morpholin-4-ylethyl)triazole-4-carbaldehyde
SMILESO=Cc1cn(CCN2CCOCC2)nn1
InChIInChI=1S/C9H14N4O2/c14-8-9-7-13(11-10-9)2-1-12-3-5-15-6-4-12/h7-8H,1-6H2
InChIKeyFIZRFRJKJFNLBY-UHFFFAOYSA-N
XLogP-0.58
TPSA60.25 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.24
LogP ≤ 5-0.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(2-morpholin-4-ylethyl)triazole-4-carbaldehyde?
The IUPAC name of 1-(2-morpholin-4-ylethyl)triazole-4-carbaldehyde (CID 66216375) is 1-(2-morpholin-4-ylethyl)triazole-4-carbaldehyde.
What is the SMILES notation for 1-(2-morpholin-4-ylethyl)triazole-4-carbaldehyde?
The canonical SMILES for 1-(2-morpholin-4-ylethyl)triazole-4-carbaldehyde is O=Cc1cn(CCN2CCOCC2)nn1.
What is the InChIKey of 1-(2-morpholin-4-ylethyl)triazole-4-carbaldehyde?
The InChIKey is FIZRFRJKJFNLBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4O2/c14-8-9-7-13(11-10-9)2-1-12-3-5-15-6-4-12/h7-8H,1-6H2.
What are the key properties of 1-(2-morpholin-4-ylethyl)triazole-4-carbaldehyde?
1-(2-morpholin-4-ylethyl)triazole-4-carbaldehyde has a molecular weight of 210.24 g/mol, XLogP of -0.58, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-morpholin-4-ylethyl)triazole-4-carbaldehyde is sourced from PubChem (CID 66216375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).