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

C13H18N4O — CID 121189849

IUPACcyclobutyl-[3-(4-cyclopropyltriazol-1-yl)azetidin-1-yl]methanone
SMILESO=C(C1CCC1)N1CC(n2cc(C3CC3)nn2)C1
InChIInChI=1S/C13H18N4O/c18-13(10-2-1-3-10)16-6-11(7-16)17-8-12(14-15-17)9-4-5-9/h8-11H,1-7H2
InChIKeyIGNWNOJOVZSWKN-UHFFFAOYSA-N
MW246.31 g/mol
LogP1.34
Rot. Bonds3

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

cyclobutyl-[3-(4-cyclopropyltriazol-1-yl)azetidin-1-yl]methanone (PubChem CID 121189849) has the molecular formula C13H18N4O and a molecular weight of 246.31 g/mol. Its IUPAC name is cyclobutyl-[3-(4-cyclopropyltriazol-1-yl)azetidin-1-yl]methanone.

Molecular Properties

Compound Namecyclobutyl-[3-(4-cyclopropyltriazol-1-yl)azetidin-1-yl]methanone
PubChem CID121189849
Molecular FormulaC13H18N4O
Molecular Weight246.31 g/mol
Exact Mass246.15
IUPAC Namecyclobutyl-[3-(4-cyclopropyltriazol-1-yl)azetidin-1-yl]methanone
SMILESO=C(C1CCC1)N1CC(n2cc(C3CC3)nn2)C1
InChIInChI=1S/C13H18N4O/c18-13(10-2-1-3-10)16-6-11(7-16)17-8-12(14-15-17)9-4-5-9/h8-11H,1-7H2
InChIKeyIGNWNOJOVZSWKN-UHFFFAOYSA-N
XLogP1.34
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 51.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of cyclobutyl-[3-(4-cyclopropyltriazol-1-yl)azetidin-1-yl]methanone?
The IUPAC name of cyclobutyl-[3-(4-cyclopropyltriazol-1-yl)azetidin-1-yl]methanone (CID 121189849) is cyclobutyl-[3-(4-cyclopropyltriazol-1-yl)azetidin-1-yl]methanone.
What is the SMILES notation for cyclobutyl-[3-(4-cyclopropyltriazol-1-yl)azetidin-1-yl]methanone?
The canonical SMILES for cyclobutyl-[3-(4-cyclopropyltriazol-1-yl)azetidin-1-yl]methanone is O=C(C1CCC1)N1CC(n2cc(C3CC3)nn2)C1.
What is the InChIKey of cyclobutyl-[3-(4-cyclopropyltriazol-1-yl)azetidin-1-yl]methanone?
The InChIKey is IGNWNOJOVZSWKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O/c18-13(10-2-1-3-10)16-6-11(7-16)17-8-12(14-15-17)9-4-5-9/h8-11H,1-7H2.
What are the key properties of cyclobutyl-[3-(4-cyclopropyltriazol-1-yl)azetidin-1-yl]methanone?
cyclobutyl-[3-(4-cyclopropyltriazol-1-yl)azetidin-1-yl]methanone has a molecular weight of 246.31 g/mol, XLogP of 1.34, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cyclobutyl-[3-(4-cyclopropyltriazol-1-yl)azetidin-1-yl]methanone is sourced from PubChem (CID 121189849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).