1-(oxolan-3-yl)triazole

C6H9N3O — CID 22675224

IUPAC1-(oxolan-3-yl)triazole
SMILESc1cn(C2CCOC2)nn1
InChIInChI=1S/C6H9N3O/c1-4-10-5-6(1)9-3-2-7-8-9/h2-3,6H,1,4-5H2
InChIKeyJEGNDSWERCCBKK-UHFFFAOYSA-N
MW139.16 g/mol
LogP0.24
Rot. Bonds1

About 1-(oxolan-3-yl)triazole

1-(oxolan-3-yl)triazole (PubChem CID 22675224) has the molecular formula C6H9N3O and a molecular weight of 139.16 g/mol. Its IUPAC name is 1-(oxolan-3-yl)triazole.

Molecular Properties

Compound Name1-(oxolan-3-yl)triazole
PubChem CID22675224
Molecular FormulaC6H9N3O
Molecular Weight139.16 g/mol
Exact Mass139.07
IUPAC Name1-(oxolan-3-yl)triazole
SMILESc1cn(C2CCOC2)nn1
InChIInChI=1S/C6H9N3O/c1-4-10-5-6(1)9-3-2-7-8-9/h2-3,6H,1,4-5H2
InChIKeyJEGNDSWERCCBKK-UHFFFAOYSA-N
XLogP0.24
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.16
LogP ≤ 50.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-(oxolan-3-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 1-(oxolan-3-yl)triazole?
The IUPAC name of 1-(oxolan-3-yl)triazole (CID 22675224) is 1-(oxolan-3-yl)triazole.
What is the SMILES notation for 1-(oxolan-3-yl)triazole?
The canonical SMILES for 1-(oxolan-3-yl)triazole is c1cn(C2CCOC2)nn1.
What is the InChIKey of 1-(oxolan-3-yl)triazole?
The InChIKey is JEGNDSWERCCBKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N3O/c1-4-10-5-6(1)9-3-2-7-8-9/h2-3,6H,1,4-5H2.
What are the key properties of 1-(oxolan-3-yl)triazole?
1-(oxolan-3-yl)triazole has a molecular weight of 139.16 g/mol, XLogP of 0.24, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(oxolan-3-yl)triazole is sourced from PubChem (CID 22675224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).