cyclopropyl-[3-(4-cyclopropyltriazol-1-yl)azetidin-1-yl]methanone

C12H16N4O — CID 121189848

IUPACcyclopropyl-[3-(4-cyclopropyltriazol-1-yl)azetidin-1-yl]methanone
SMILESO=C(C1CC1)N1CC(n2cc(C3CC3)nn2)C1
InChIInChI=1S/C12H16N4O/c17-12(9-3-4-9)15-5-10(6-15)16-7-11(13-14-16)8-1-2-8/h7-10H,1-6H2
InChIKeyLQESCMYIYGRLMR-UHFFFAOYSA-N
MW232.29 g/mol
LogP0.95
Rot. Bonds3

About cyclopropyl-[3-(4-cyclopropyltriazol-1-yl)azetidin-1-yl]methanone

cyclopropyl-[3-(4-cyclopropyltriazol-1-yl)azetidin-1-yl]methanone (PubChem CID 121189848) has the molecular formula C12H16N4O and a molecular weight of 232.29 g/mol. Its IUPAC name is cyclopropyl-[3-(4-cyclopropyltriazol-1-yl)azetidin-1-yl]methanone.

Molecular Properties

Compound Namecyclopropyl-[3-(4-cyclopropyltriazol-1-yl)azetidin-1-yl]methanone
PubChem CID121189848
Molecular FormulaC12H16N4O
Molecular Weight232.29 g/mol
Exact Mass232.13
IUPAC Namecyclopropyl-[3-(4-cyclopropyltriazol-1-yl)azetidin-1-yl]methanone
SMILESO=C(C1CC1)N1CC(n2cc(C3CC3)nn2)C1
InChIInChI=1S/C12H16N4O/c17-12(9-3-4-9)15-5-10(6-15)16-7-11(13-14-16)8-1-2-8/h7-10H,1-6H2
InChIKeyLQESCMYIYGRLMR-UHFFFAOYSA-N
XLogP0.95
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.29
LogP ≤ 50.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of cyclopropyl-[3-(4-cyclopropyltriazol-1-yl)azetidin-1-yl]methanone?
The IUPAC name of cyclopropyl-[3-(4-cyclopropyltriazol-1-yl)azetidin-1-yl]methanone (CID 121189848) is cyclopropyl-[3-(4-cyclopropyltriazol-1-yl)azetidin-1-yl]methanone.
What is the SMILES notation for cyclopropyl-[3-(4-cyclopropyltriazol-1-yl)azetidin-1-yl]methanone?
The canonical SMILES for cyclopropyl-[3-(4-cyclopropyltriazol-1-yl)azetidin-1-yl]methanone is O=C(C1CC1)N1CC(n2cc(C3CC3)nn2)C1.
What is the InChIKey of cyclopropyl-[3-(4-cyclopropyltriazol-1-yl)azetidin-1-yl]methanone?
The InChIKey is LQESCMYIYGRLMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O/c17-12(9-3-4-9)15-5-10(6-15)16-7-11(13-14-16)8-1-2-8/h7-10H,1-6H2.
What are the key properties of cyclopropyl-[3-(4-cyclopropyltriazol-1-yl)azetidin-1-yl]methanone?
cyclopropyl-[3-(4-cyclopropyltriazol-1-yl)azetidin-1-yl]methanone has a molecular weight of 232.29 g/mol, XLogP of 0.95, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropyl-[3-(4-cyclopropyltriazol-1-yl)azetidin-1-yl]methanone is sourced from PubChem (CID 121189848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).