5-(oxan-2-yl)-1H-1,2,4-triazole

C7H11N3O — CID 91376030

IUPAC5-(oxan-2-yl)-1H-1,2,4-triazole
SMILESc1n[nH]c(C2CCCCO2)n1
InChIInChI=1S/C7H11N3O/c1-2-4-11-6(3-1)7-8-5-9-10-7/h5-6H,1-4H2,(H,8,9,10)
InChIKeyAEZQGSHUZONAFR-UHFFFAOYSA-N
MW153.19 g/mol
LogP1.05
Rot. Bonds1

About 5-(oxan-2-yl)-1H-1,2,4-triazole

5-(oxan-2-yl)-1H-1,2,4-triazole (PubChem CID 91376030) has the molecular formula C7H11N3O and a molecular weight of 153.19 g/mol. Its IUPAC name is 5-(oxan-2-yl)-1H-1,2,4-triazole.

Molecular Properties

Compound Name5-(oxan-2-yl)-1H-1,2,4-triazole
PubChem CID91376030
Molecular FormulaC7H11N3O
Molecular Weight153.19 g/mol
Exact Mass153.09
IUPAC Name5-(oxan-2-yl)-1H-1,2,4-triazole
SMILESc1n[nH]c(C2CCCCO2)n1
InChIInChI=1S/C7H11N3O/c1-2-4-11-6(3-1)7-8-5-9-10-7/h5-6H,1-4H2,(H,8,9,10)
InChIKeyAEZQGSHUZONAFR-UHFFFAOYSA-N
XLogP1.05
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.19
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(oxan-2-yl)-1H-1,2,4-triazole?
The IUPAC name of 5-(oxan-2-yl)-1H-1,2,4-triazole (CID 91376030) is 5-(oxan-2-yl)-1H-1,2,4-triazole.
What is the SMILES notation for 5-(oxan-2-yl)-1H-1,2,4-triazole?
The canonical SMILES for 5-(oxan-2-yl)-1H-1,2,4-triazole is c1n[nH]c(C2CCCCO2)n1.
What is the InChIKey of 5-(oxan-2-yl)-1H-1,2,4-triazole?
The InChIKey is AEZQGSHUZONAFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3O/c1-2-4-11-6(3-1)7-8-5-9-10-7/h5-6H,1-4H2,(H,8,9,10).
What are the key properties of 5-(oxan-2-yl)-1H-1,2,4-triazole?
5-(oxan-2-yl)-1H-1,2,4-triazole has a molecular weight of 153.19 g/mol, XLogP of 1.05, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(oxan-2-yl)-1H-1,2,4-triazole is sourced from PubChem (CID 91376030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).