1,4-bis(oxolan-2-yl)triazole

C10H15N3O2 — CID 70481799

IUPAC1,4-bis(oxolan-2-yl)triazole
SMILESc1c(C2CCCO2)nnn1C1CCCO1
InChIInChI=1S/C10H15N3O2/c1-3-9(14-5-1)8-7-13(12-11-8)10-4-2-6-15-10/h7,9-10H,1-6H2
InChIKeyUYDFHUUOXSPRBW-UHFFFAOYSA-N
MW209.25 g/mol
LogP1.44
Rot. Bonds2

About 1,4-bis(oxolan-2-yl)triazole

1,4-bis(oxolan-2-yl)triazole (PubChem CID 70481799) has the molecular formula C10H15N3O2 and a molecular weight of 209.25 g/mol. Its IUPAC name is 1,4-bis(oxolan-2-yl)triazole.

Molecular Properties

Compound Name1,4-bis(oxolan-2-yl)triazole
PubChem CID70481799
Molecular FormulaC10H15N3O2
Molecular Weight209.25 g/mol
Exact Mass209.12
IUPAC Name1,4-bis(oxolan-2-yl)triazole
SMILESc1c(C2CCCO2)nnn1C1CCCO1
InChIInChI=1S/C10H15N3O2/c1-3-9(14-5-1)8-7-13(12-11-8)10-4-2-6-15-10/h7,9-10H,1-6H2
InChIKeyUYDFHUUOXSPRBW-UHFFFAOYSA-N
XLogP1.44
TPSA49.17 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.25
LogP ≤ 51.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1,4-bis(oxolan-2-yl)triazole?
The IUPAC name of 1,4-bis(oxolan-2-yl)triazole (CID 70481799) is 1,4-bis(oxolan-2-yl)triazole.
What is the SMILES notation for 1,4-bis(oxolan-2-yl)triazole?
The canonical SMILES for 1,4-bis(oxolan-2-yl)triazole is c1c(C2CCCO2)nnn1C1CCCO1.
What is the InChIKey of 1,4-bis(oxolan-2-yl)triazole?
The InChIKey is UYDFHUUOXSPRBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O2/c1-3-9(14-5-1)8-7-13(12-11-8)10-4-2-6-15-10/h7,9-10H,1-6H2.
What are the key properties of 1,4-bis(oxolan-2-yl)triazole?
1,4-bis(oxolan-2-yl)triazole has a molecular weight of 209.25 g/mol, XLogP of 1.44, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-bis(oxolan-2-yl)triazole is sourced from PubChem (CID 70481799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).