1-(4,5-dihydrotriazol-1-yloxy)-4,5-dihydrotriazole

C4H8N6O — CID 141299247

IUPAC1-(4,5-dihydrotriazol-1-yloxy)-4,5-dihydrotriazole
SMILESC1CN(ON2CCN=N2)N=N1
InChIInChI=1S/C4H8N6O/c1-3-9(7-5-1)11-10-4-2-6-8-10/h1-4H2
InChIKeyBOSXYCVKIUCOLJ-UHFFFAOYSA-N
MW156.15 g/mol
LogP0.20
Rot. Bonds2

About 1-(4,5-dihydrotriazol-1-yloxy)-4,5-dihydrotriazole

1-(4,5-dihydrotriazol-1-yloxy)-4,5-dihydrotriazole (PubChem CID 141299247) has the molecular formula C4H8N6O and a molecular weight of 156.15 g/mol. Its IUPAC name is 1-(4,5-dihydrotriazol-1-yloxy)-4,5-dihydrotriazole.

Molecular Properties

Compound Name1-(4,5-dihydrotriazol-1-yloxy)-4,5-dihydrotriazole
PubChem CID141299247
Molecular FormulaC4H8N6O
Molecular Weight156.15 g/mol
Exact Mass156.08
IUPAC Name1-(4,5-dihydrotriazol-1-yloxy)-4,5-dihydrotriazole
SMILESC1CN(ON2CCN=N2)N=N1
InChIInChI=1S/C4H8N6O/c1-3-9(7-5-1)11-10-4-2-6-8-10/h1-4H2
InChIKeyBOSXYCVKIUCOLJ-UHFFFAOYSA-N
XLogP0.20
TPSA65.15 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.15
LogP ≤ 50.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 1-(4,5-dihydrotriazol-1-yloxy)-4,5-dihydrotriazole 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-(4,5-dihydrotriazol-1-yloxy)-4,5-dihydrotriazole?
The IUPAC name of 1-(4,5-dihydrotriazol-1-yloxy)-4,5-dihydrotriazole (CID 141299247) is 1-(4,5-dihydrotriazol-1-yloxy)-4,5-dihydrotriazole.
What is the SMILES notation for 1-(4,5-dihydrotriazol-1-yloxy)-4,5-dihydrotriazole?
The canonical SMILES for 1-(4,5-dihydrotriazol-1-yloxy)-4,5-dihydrotriazole is C1CN(ON2CCN=N2)N=N1.
What is the InChIKey of 1-(4,5-dihydrotriazol-1-yloxy)-4,5-dihydrotriazole?
The InChIKey is BOSXYCVKIUCOLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8N6O/c1-3-9(7-5-1)11-10-4-2-6-8-10/h1-4H2.
What are the key properties of 1-(4,5-dihydrotriazol-1-yloxy)-4,5-dihydrotriazole?
1-(4,5-dihydrotriazol-1-yloxy)-4,5-dihydrotriazole has a molecular weight of 156.15 g/mol, XLogP of 0.20, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,5-dihydrotriazol-1-yloxy)-4,5-dihydrotriazole is sourced from PubChem (CID 141299247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).