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

C7H11N3O — CID 63937538

IUPAC1-(oxan-4-yl)-1,2,4-triazole
SMILESc1ncn(C2CCOCC2)n1
InChIInChI=1S/C7H11N3O/c1-3-11-4-2-7(1)10-6-8-5-9-10/h5-7H,1-4H2
InChIKeyWEUJVCOGRLPFKX-UHFFFAOYSA-N
MW153.19 g/mol
LogP0.63
Rot. Bonds1

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

1-(oxan-4-yl)-1,2,4-triazole (PubChem CID 63937538) has the molecular formula C7H11N3O and a molecular weight of 153.19 g/mol. Its IUPAC name is 1-(oxan-4-yl)-1,2,4-triazole.

Molecular Properties

Compound Name1-(oxan-4-yl)-1,2,4-triazole
PubChem CID63937538
Molecular FormulaC7H11N3O
Molecular Weight153.19 g/mol
Exact Mass153.09
IUPAC Name1-(oxan-4-yl)-1,2,4-triazole
SMILESc1ncn(C2CCOCC2)n1
InChIInChI=1S/C7H11N3O/c1-3-11-4-2-7(1)10-6-8-5-9-10/h5-7H,1-4H2
InChIKeyWEUJVCOGRLPFKX-UHFFFAOYSA-N
XLogP0.63
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.19
LogP ≤ 50.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(oxan-4-yl)-1,2,4-triazole?
The IUPAC name of 1-(oxan-4-yl)-1,2,4-triazole (CID 63937538) is 1-(oxan-4-yl)-1,2,4-triazole.
What is the SMILES notation for 1-(oxan-4-yl)-1,2,4-triazole?
The canonical SMILES for 1-(oxan-4-yl)-1,2,4-triazole is c1ncn(C2CCOCC2)n1.
What is the InChIKey of 1-(oxan-4-yl)-1,2,4-triazole?
The InChIKey is WEUJVCOGRLPFKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3O/c1-3-11-4-2-7(1)10-6-8-5-9-10/h5-7H,1-4H2.
What are the key properties of 1-(oxan-4-yl)-1,2,4-triazole?
1-(oxan-4-yl)-1,2,4-triazole has a molecular weight of 153.19 g/mol, XLogP of 0.63, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(oxan-4-yl)-1,2,4-triazole is sourced from PubChem (CID 63937538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).