(1-cyclobutyltriazol-4-yl)-[3-(oxetan-3-ylamino)azetidin-1-yl]methanone

C13H19N5O2 — CID 167775813

IUPAC(1-cyclobutyltriazol-4-yl)-[3-(oxetan-3-ylamino)azetidin-1-yl]methanone
SMILESO=C(c1cn(C2CCC2)nn1)N1CC(NC2COC2)C1
InChIInChI=1S/C13H19N5O2/c19-13(12-6-18(16-15-12)11-2-1-3-11)17-4-9(5-17)14-10-7-20-8-10/h6,9-11,14H,1-5,7-8H2
InChIKeyJECLLNJFGVRNNH-UHFFFAOYSA-N
MW277.33 g/mol
LogP-0.18
Rot. Bonds4

About (1-cyclobutyltriazol-4-yl)-[3-(oxetan-3-ylamino)azetidin-1-yl]methanone

(1-cyclobutyltriazol-4-yl)-[3-(oxetan-3-ylamino)azetidin-1-yl]methanone (PubChem CID 167775813) has the molecular formula C13H19N5O2 and a molecular weight of 277.33 g/mol. Its IUPAC name is (1-cyclobutyltriazol-4-yl)-[3-(oxetan-3-ylamino)azetidin-1-yl]methanone.

Molecular Properties

Compound Name(1-cyclobutyltriazol-4-yl)-[3-(oxetan-3-ylamino)azetidin-1-yl]methanone
PubChem CID167775813
Molecular FormulaC13H19N5O2
Molecular Weight277.33 g/mol
Exact Mass277.15
IUPAC Name(1-cyclobutyltriazol-4-yl)-[3-(oxetan-3-ylamino)azetidin-1-yl]methanone
SMILESO=C(c1cn(C2CCC2)nn1)N1CC(NC2COC2)C1
InChIInChI=1S/C13H19N5O2/c19-13(12-6-18(16-15-12)11-2-1-3-11)17-4-9(5-17)14-10-7-20-8-10/h6,9-11,14H,1-5,7-8H2
InChIKeyJECLLNJFGVRNNH-UHFFFAOYSA-N
XLogP-0.18
TPSA72.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.33
LogP ≤ 5-0.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (1-cyclobutyltriazol-4-yl)-[3-(oxetan-3-ylamino)azetidin-1-yl]methanone?
The IUPAC name of (1-cyclobutyltriazol-4-yl)-[3-(oxetan-3-ylamino)azetidin-1-yl]methanone (CID 167775813) is (1-cyclobutyltriazol-4-yl)-[3-(oxetan-3-ylamino)azetidin-1-yl]methanone.
What is the SMILES notation for (1-cyclobutyltriazol-4-yl)-[3-(oxetan-3-ylamino)azetidin-1-yl]methanone?
The canonical SMILES for (1-cyclobutyltriazol-4-yl)-[3-(oxetan-3-ylamino)azetidin-1-yl]methanone is O=C(c1cn(C2CCC2)nn1)N1CC(NC2COC2)C1.
What is the InChIKey of (1-cyclobutyltriazol-4-yl)-[3-(oxetan-3-ylamino)azetidin-1-yl]methanone?
The InChIKey is JECLLNJFGVRNNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5O2/c19-13(12-6-18(16-15-12)11-2-1-3-11)17-4-9(5-17)14-10-7-20-8-10/h6,9-11,14H,1-5,7-8H2.
What are the key properties of (1-cyclobutyltriazol-4-yl)-[3-(oxetan-3-ylamino)azetidin-1-yl]methanone?
(1-cyclobutyltriazol-4-yl)-[3-(oxetan-3-ylamino)azetidin-1-yl]methanone has a molecular weight of 277.33 g/mol, XLogP of -0.18, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1-cyclobutyltriazol-4-yl)-[3-(oxetan-3-ylamino)azetidin-1-yl]methanone is sourced from PubChem (CID 167775813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).