5-(triazol-1-ylmethyl)-4,5-dihydro-1,2-oxazole

C6H8N4O — CID 175726578

IUPAC5-(triazol-1-ylmethyl)-4,5-dihydro-1,2-oxazole
SMILESC1=NOC(Cn2ccnn2)C1
InChIInChI=1S/C6H8N4O/c1-2-8-11-6(1)5-10-4-3-7-9-10/h2-4,6H,1,5H2
InChIKeyUZKHMYDHCFWWGA-UHFFFAOYSA-N
MW152.16 g/mol
LogP0.05
Rot. Bonds2

About 5-(triazol-1-ylmethyl)-4,5-dihydro-1,2-oxazole

5-(triazol-1-ylmethyl)-4,5-dihydro-1,2-oxazole (PubChem CID 175726578) has the molecular formula C6H8N4O and a molecular weight of 152.16 g/mol. Its IUPAC name is 5-(triazol-1-ylmethyl)-4,5-dihydro-1,2-oxazole.

Molecular Properties

Compound Name5-(triazol-1-ylmethyl)-4,5-dihydro-1,2-oxazole
PubChem CID175726578
Molecular FormulaC6H8N4O
Molecular Weight152.16 g/mol
Exact Mass152.07
IUPAC Name5-(triazol-1-ylmethyl)-4,5-dihydro-1,2-oxazole
SMILESC1=NOC(Cn2ccnn2)C1
InChIInChI=1S/C6H8N4O/c1-2-8-11-6(1)5-10-4-3-7-9-10/h2-4,6H,1,5H2
InChIKeyUZKHMYDHCFWWGA-UHFFFAOYSA-N
XLogP0.05
TPSA52.30 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.16
LogP ≤ 50.05
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)-4,5-dihydro-1,2-oxazole?
The IUPAC name of 5-(triazol-1-ylmethyl)-4,5-dihydro-1,2-oxazole (CID 175726578) is 5-(triazol-1-ylmethyl)-4,5-dihydro-1,2-oxazole.
What is the SMILES notation for 5-(triazol-1-ylmethyl)-4,5-dihydro-1,2-oxazole?
The canonical SMILES for 5-(triazol-1-ylmethyl)-4,5-dihydro-1,2-oxazole is C1=NOC(Cn2ccnn2)C1.
What is the InChIKey of 5-(triazol-1-ylmethyl)-4,5-dihydro-1,2-oxazole?
The InChIKey is UZKHMYDHCFWWGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N4O/c1-2-8-11-6(1)5-10-4-3-7-9-10/h2-4,6H,1,5H2.
What are the key properties of 5-(triazol-1-ylmethyl)-4,5-dihydro-1,2-oxazole?
5-(triazol-1-ylmethyl)-4,5-dihydro-1,2-oxazole has a molecular weight of 152.16 g/mol, XLogP of 0.05, 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)-4,5-dihydro-1,2-oxazole is sourced from PubChem (CID 175726578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).