2-methoxy-1-[3-(triazol-1-yl)azetidin-1-yl]propan-1-one

C9H14N4O2 — CID 146088228

IUPAC2-methoxy-1-[3-(triazol-1-yl)azetidin-1-yl]propan-1-one
SMILESCOC(C)C(=O)N1CC(n2ccnn2)C1
InChIInChI=1S/C9H14N4O2/c1-7(15-2)9(14)12-5-8(6-12)13-4-3-10-11-13/h3-4,7-8H,5-6H2,1-2H3
InChIKeyAQYDOKVKXSWYSJ-UHFFFAOYSA-N
MW210.24 g/mol
LogP-0.30
Rot. Bonds3

About 2-methoxy-1-[3-(triazol-1-yl)azetidin-1-yl]propan-1-one

2-methoxy-1-[3-(triazol-1-yl)azetidin-1-yl]propan-1-one (PubChem CID 146088228) has the molecular formula C9H14N4O2 and a molecular weight of 210.24 g/mol. Its IUPAC name is 2-methoxy-1-[3-(triazol-1-yl)azetidin-1-yl]propan-1-one.

Molecular Properties

Compound Name2-methoxy-1-[3-(triazol-1-yl)azetidin-1-yl]propan-1-one
PubChem CID146088228
Molecular FormulaC9H14N4O2
Molecular Weight210.24 g/mol
Exact Mass210.11
IUPAC Name2-methoxy-1-[3-(triazol-1-yl)azetidin-1-yl]propan-1-one
SMILESCOC(C)C(=O)N1CC(n2ccnn2)C1
InChIInChI=1S/C9H14N4O2/c1-7(15-2)9(14)12-5-8(6-12)13-4-3-10-11-13/h3-4,7-8H,5-6H2,1-2H3
InChIKeyAQYDOKVKXSWYSJ-UHFFFAOYSA-N
XLogP-0.30
TPSA60.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.24
LogP ≤ 5-0.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-1-[3-(triazol-1-yl)azetidin-1-yl]propan-1-one?
The IUPAC name of 2-methoxy-1-[3-(triazol-1-yl)azetidin-1-yl]propan-1-one (CID 146088228) is 2-methoxy-1-[3-(triazol-1-yl)azetidin-1-yl]propan-1-one.
What is the SMILES notation for 2-methoxy-1-[3-(triazol-1-yl)azetidin-1-yl]propan-1-one?
The canonical SMILES for 2-methoxy-1-[3-(triazol-1-yl)azetidin-1-yl]propan-1-one is COC(C)C(=O)N1CC(n2ccnn2)C1.
What is the InChIKey of 2-methoxy-1-[3-(triazol-1-yl)azetidin-1-yl]propan-1-one?
The InChIKey is AQYDOKVKXSWYSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4O2/c1-7(15-2)9(14)12-5-8(6-12)13-4-3-10-11-13/h3-4,7-8H,5-6H2,1-2H3.
What are the key properties of 2-methoxy-1-[3-(triazol-1-yl)azetidin-1-yl]propan-1-one?
2-methoxy-1-[3-(triazol-1-yl)azetidin-1-yl]propan-1-one has a molecular weight of 210.24 g/mol, XLogP of -0.30, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-1-[3-(triazol-1-yl)azetidin-1-yl]propan-1-one is sourced from PubChem (CID 146088228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).