4-ethyl-1-[(2R)-oxan-2-yl]triazole

C9H15N3O — CID 59865309

IUPAC4-ethyl-1-[(2R)-oxan-2-yl]triazole
SMILESCCc1cn([C@H]2CCCCO2)nn1
InChIInChI=1S/C9H15N3O/c1-2-8-7-12(11-10-8)9-5-3-4-6-13-9/h7,9H,2-6H2,1H3/t9-/m1/s1
InChIKeyNETKFXQKZLGGCQ-SECBINFHSA-N
MW181.24 g/mol
LogP1.54
Rot. Bonds2

About 4-ethyl-1-[(2R)-oxan-2-yl]triazole

4-ethyl-1-[(2R)-oxan-2-yl]triazole (PubChem CID 59865309) has the molecular formula C9H15N3O and a molecular weight of 181.24 g/mol. Its IUPAC name is 4-ethyl-1-[(2R)-oxan-2-yl]triazole.

Molecular Properties

Compound Name4-ethyl-1-[(2R)-oxan-2-yl]triazole
PubChem CID59865309
Molecular FormulaC9H15N3O
Molecular Weight181.24 g/mol
Exact Mass181.12
IUPAC Name4-ethyl-1-[(2R)-oxan-2-yl]triazole
SMILESCCc1cn([C@H]2CCCCO2)nn1
InChIInChI=1S/C9H15N3O/c1-2-8-7-12(11-10-8)9-5-3-4-6-13-9/h7,9H,2-6H2,1H3/t9-/m1/s1
InChIKeyNETKFXQKZLGGCQ-SECBINFHSA-N
XLogP1.54
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.24
LogP ≤ 51.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 4-ethyl-1-[(2R)-oxan-2-yl]triazole 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-ethyl-1-[(2R)-oxan-2-yl]triazole?
The IUPAC name of 4-ethyl-1-[(2R)-oxan-2-yl]triazole (CID 59865309) is 4-ethyl-1-[(2R)-oxan-2-yl]triazole.
What is the SMILES notation for 4-ethyl-1-[(2R)-oxan-2-yl]triazole?
The canonical SMILES for 4-ethyl-1-[(2R)-oxan-2-yl]triazole is CCc1cn([C@H]2CCCCO2)nn1.
What is the InChIKey of 4-ethyl-1-[(2R)-oxan-2-yl]triazole?
The InChIKey is NETKFXQKZLGGCQ-SECBINFHSA-N. The full InChI is InChI=1S/C9H15N3O/c1-2-8-7-12(11-10-8)9-5-3-4-6-13-9/h7,9H,2-6H2,1H3/t9-/m1/s1.
What are the key properties of 4-ethyl-1-[(2R)-oxan-2-yl]triazole?
4-ethyl-1-[(2R)-oxan-2-yl]triazole has a molecular weight of 181.24 g/mol, XLogP of 1.54, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-1-[(2R)-oxan-2-yl]triazole is sourced from PubChem (CID 59865309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).