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

C6H9N3O — CID 66487024

IUPAC5-(oxolan-2-yl)-1H-1,2,4-triazole
SMILESc1n[nH]c(C2CCCO2)n1
InChIInChI=1S/C6H9N3O/c1-2-5(10-3-1)6-7-4-8-9-6/h4-5H,1-3H2,(H,7,8,9)
InChIKeyNBLPCDQEVWAQCO-UHFFFAOYSA-N
MW139.16 g/mol
LogP0.66
Rot. Bonds1

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

5-(oxolan-2-yl)-1H-1,2,4-triazole (PubChem CID 66487024) has the molecular formula C6H9N3O and a molecular weight of 139.16 g/mol. Its IUPAC name is 5-(oxolan-2-yl)-1H-1,2,4-triazole.

Molecular Properties

Compound Name5-(oxolan-2-yl)-1H-1,2,4-triazole
PubChem CID66487024
Molecular FormulaC6H9N3O
Molecular Weight139.16 g/mol
Exact Mass139.07
IUPAC Name5-(oxolan-2-yl)-1H-1,2,4-triazole
SMILESc1n[nH]c(C2CCCO2)n1
InChIInChI=1S/C6H9N3O/c1-2-5(10-3-1)6-7-4-8-9-6/h4-5H,1-3H2,(H,7,8,9)
InChIKeyNBLPCDQEVWAQCO-UHFFFAOYSA-N
XLogP0.66
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.16
LogP ≤ 50.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(oxolan-2-yl)-1H-1,2,4-triazole?
The IUPAC name of 5-(oxolan-2-yl)-1H-1,2,4-triazole (CID 66487024) is 5-(oxolan-2-yl)-1H-1,2,4-triazole.
What is the SMILES notation for 5-(oxolan-2-yl)-1H-1,2,4-triazole?
The canonical SMILES for 5-(oxolan-2-yl)-1H-1,2,4-triazole is c1n[nH]c(C2CCCO2)n1.
What is the InChIKey of 5-(oxolan-2-yl)-1H-1,2,4-triazole?
The InChIKey is NBLPCDQEVWAQCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N3O/c1-2-5(10-3-1)6-7-4-8-9-6/h4-5H,1-3H2,(H,7,8,9).
What are the key properties of 5-(oxolan-2-yl)-1H-1,2,4-triazole?
5-(oxolan-2-yl)-1H-1,2,4-triazole has a molecular weight of 139.16 g/mol, XLogP of 0.66, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(oxolan-2-yl)-1H-1,2,4-triazole is sourced from PubChem (CID 66487024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).