oxolan-2-yl-[3-(triazol-1-ylmethyl)azetidin-1-yl]methanone

C11H16N4O2 — CID 126857923

IUPACoxolan-2-yl-[3-(triazol-1-ylmethyl)azetidin-1-yl]methanone
SMILESO=C(C1CCCO1)N1CC(Cn2ccnn2)C1
InChIInChI=1S/C11H16N4O2/c16-11(10-2-1-5-17-10)14-6-9(7-14)8-15-4-3-12-13-15/h3-4,9-10H,1-2,5-8H2
InChIKeyCLIWYJYVXKHXAT-UHFFFAOYSA-N
MW236.27 g/mol
LogP-0.08
Rot. Bonds3

About oxolan-2-yl-[3-(triazol-1-ylmethyl)azetidin-1-yl]methanone

oxolan-2-yl-[3-(triazol-1-ylmethyl)azetidin-1-yl]methanone (PubChem CID 126857923) has the molecular formula C11H16N4O2 and a molecular weight of 236.27 g/mol. Its IUPAC name is oxolan-2-yl-[3-(triazol-1-ylmethyl)azetidin-1-yl]methanone.

Molecular Properties

Compound Nameoxolan-2-yl-[3-(triazol-1-ylmethyl)azetidin-1-yl]methanone
PubChem CID126857923
Molecular FormulaC11H16N4O2
Molecular Weight236.27 g/mol
Exact Mass236.13
IUPAC Nameoxolan-2-yl-[3-(triazol-1-ylmethyl)azetidin-1-yl]methanone
SMILESO=C(C1CCCO1)N1CC(Cn2ccnn2)C1
InChIInChI=1S/C11H16N4O2/c16-11(10-2-1-5-17-10)14-6-9(7-14)8-15-4-3-12-13-15/h3-4,9-10H,1-2,5-8H2
InChIKeyCLIWYJYVXKHXAT-UHFFFAOYSA-N
XLogP-0.08
TPSA60.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 5-0.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of oxolan-2-yl-[3-(triazol-1-ylmethyl)azetidin-1-yl]methanone?
The IUPAC name of oxolan-2-yl-[3-(triazol-1-ylmethyl)azetidin-1-yl]methanone (CID 126857923) is oxolan-2-yl-[3-(triazol-1-ylmethyl)azetidin-1-yl]methanone.
What is the SMILES notation for oxolan-2-yl-[3-(triazol-1-ylmethyl)azetidin-1-yl]methanone?
The canonical SMILES for oxolan-2-yl-[3-(triazol-1-ylmethyl)azetidin-1-yl]methanone is O=C(C1CCCO1)N1CC(Cn2ccnn2)C1.
What is the InChIKey of oxolan-2-yl-[3-(triazol-1-ylmethyl)azetidin-1-yl]methanone?
The InChIKey is CLIWYJYVXKHXAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O2/c16-11(10-2-1-5-17-10)14-6-9(7-14)8-15-4-3-12-13-15/h3-4,9-10H,1-2,5-8H2.
What are the key properties of oxolan-2-yl-[3-(triazol-1-ylmethyl)azetidin-1-yl]methanone?
oxolan-2-yl-[3-(triazol-1-ylmethyl)azetidin-1-yl]methanone has a molecular weight of 236.27 g/mol, XLogP of -0.08, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for oxolan-2-yl-[3-(triazol-1-ylmethyl)azetidin-1-yl]methanone is sourced from PubChem (CID 126857923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).