5-(triazol-1-ylmethyl)-1,2-oxazole

C6H6N4O — CID 130779651

IUPAC5-(triazol-1-ylmethyl)-1,2-oxazole
SMILESc1cn(Cc2ccno2)nn1
InChIInChI=1S/C6H6N4O/c1-2-8-11-6(1)5-10-4-3-7-9-10/h1-4H,5H2
InChIKeyIGNKDDXGVHSGPH-UHFFFAOYSA-N
MW150.14 g/mol
LogP0.31
Rot. Bonds2

About 5-(triazol-1-ylmethyl)-1,2-oxazole

5-(triazol-1-ylmethyl)-1,2-oxazole (PubChem CID 130779651) has the molecular formula C6H6N4O and a molecular weight of 150.14 g/mol. Its IUPAC name is 5-(triazol-1-ylmethyl)-1,2-oxazole.

Molecular Properties

Compound Name5-(triazol-1-ylmethyl)-1,2-oxazole
PubChem CID130779651
Molecular FormulaC6H6N4O
Molecular Weight150.14 g/mol
Exact Mass150.05
IUPAC Name5-(triazol-1-ylmethyl)-1,2-oxazole
SMILESc1cn(Cc2ccno2)nn1
InChIInChI=1S/C6H6N4O/c1-2-8-11-6(1)5-10-4-3-7-9-10/h1-4H,5H2
InChIKeyIGNKDDXGVHSGPH-UHFFFAOYSA-N
XLogP0.31
TPSA56.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.14
LogP ≤ 50.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(triazol-1-ylmethyl)-1,2-oxazole?
The IUPAC name of 5-(triazol-1-ylmethyl)-1,2-oxazole (CID 130779651) is 5-(triazol-1-ylmethyl)-1,2-oxazole.
What is the SMILES notation for 5-(triazol-1-ylmethyl)-1,2-oxazole?
The canonical SMILES for 5-(triazol-1-ylmethyl)-1,2-oxazole is c1cn(Cc2ccno2)nn1.
What is the InChIKey of 5-(triazol-1-ylmethyl)-1,2-oxazole?
The InChIKey is IGNKDDXGVHSGPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6N4O/c1-2-8-11-6(1)5-10-4-3-7-9-10/h1-4H,5H2.
What are the key properties of 5-(triazol-1-ylmethyl)-1,2-oxazole?
5-(triazol-1-ylmethyl)-1,2-oxazole has a molecular weight of 150.14 g/mol, XLogP of 0.31, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(triazol-1-ylmethyl)-1,2-oxazole is sourced from PubChem (CID 130779651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).