[6-(3-cyclopropyl-1,2,4-triazol-1-yl)-2-azaspiro[3.3]heptan-2-yl]-(3-hydroxyazetidin-1-yl)methanone

C15H21N5O2 — CID 170774033

IUPAC[6-(3-cyclopropyl-1,2,4-triazol-1-yl)-2-azaspiro[3.3]heptan-2-yl]-(3-hydroxyazetidin-1-yl)methanone
SMILESO=C(N1CC(O)C1)N1CC2(CC(n3cnc(C4CC4)n3)C2)C1
InChIInChI=1S/C15H21N5O2/c21-12-5-18(6-12)14(22)19-7-15(8-19)3-11(4-15)20-9-16-13(17-20)10-1-2-10/h9-12,21H,1-8H2
InChIKeyIBFHWNZTYWAUAW-UHFFFAOYSA-N
MW303.37 g/mol
LogP0.59
Rot. Bonds2

About [6-(3-cyclopropyl-1,2,4-triazol-1-yl)-2-azaspiro[3.3]heptan-2-yl]-(3-hydroxyazetidin-1-yl)methanone

[6-(3-cyclopropyl-1,2,4-triazol-1-yl)-2-azaspiro[3.3]heptan-2-yl]-(3-hydroxyazetidin-1-yl)methanone (PubChem CID 170774033) has the molecular formula C15H21N5O2 and a molecular weight of 303.37 g/mol. Its IUPAC name is [6-(3-cyclopropyl-1,2,4-triazol-1-yl)-2-azaspiro[3.3]heptan-2-yl]-(3-hydroxyazetidin-1-yl)methanone.

Molecular Properties

Compound Name[6-(3-cyclopropyl-1,2,4-triazol-1-yl)-2-azaspiro[3.3]heptan-2-yl]-(3-hydroxyazetidin-1-yl)methanone
PubChem CID170774033
Molecular FormulaC15H21N5O2
Molecular Weight303.37 g/mol
Exact Mass303.17
IUPAC Name[6-(3-cyclopropyl-1,2,4-triazol-1-yl)-2-azaspiro[3.3]heptan-2-yl]-(3-hydroxyazetidin-1-yl)methanone
SMILESO=C(N1CC(O)C1)N1CC2(CC(n3cnc(C4CC4)n3)C2)C1
InChIInChI=1S/C15H21N5O2/c21-12-5-18(6-12)14(22)19-7-15(8-19)3-11(4-15)20-9-16-13(17-20)10-1-2-10/h9-12,21H,1-8H2
InChIKeyIBFHWNZTYWAUAW-UHFFFAOYSA-N
XLogP0.59
TPSA74.49 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.37
LogP ≤ 50.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [6-(3-cyclopropyl-1,2,4-triazol-1-yl)-2-azaspiro[3.3]heptan-2-yl]-(3-hydroxyazetidin-1-yl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [6-(3-cyclopropyl-1,2,4-triazol-1-yl)-2-azaspiro[3.3]heptan-2-yl]-(3-hydroxyazetidin-1-yl)methanone?
The IUPAC name of [6-(3-cyclopropyl-1,2,4-triazol-1-yl)-2-azaspiro[3.3]heptan-2-yl]-(3-hydroxyazetidin-1-yl)methanone (CID 170774033) is [6-(3-cyclopropyl-1,2,4-triazol-1-yl)-2-azaspiro[3.3]heptan-2-yl]-(3-hydroxyazetidin-1-yl)methanone.
What is the SMILES notation for [6-(3-cyclopropyl-1,2,4-triazol-1-yl)-2-azaspiro[3.3]heptan-2-yl]-(3-hydroxyazetidin-1-yl)methanone?
The canonical SMILES for [6-(3-cyclopropyl-1,2,4-triazol-1-yl)-2-azaspiro[3.3]heptan-2-yl]-(3-hydroxyazetidin-1-yl)methanone is O=C(N1CC(O)C1)N1CC2(CC(n3cnc(C4CC4)n3)C2)C1.
What is the InChIKey of [6-(3-cyclopropyl-1,2,4-triazol-1-yl)-2-azaspiro[3.3]heptan-2-yl]-(3-hydroxyazetidin-1-yl)methanone?
The InChIKey is IBFHWNZTYWAUAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5O2/c21-12-5-18(6-12)14(22)19-7-15(8-19)3-11(4-15)20-9-16-13(17-20)10-1-2-10/h9-12,21H,1-8H2.
What are the key properties of [6-(3-cyclopropyl-1,2,4-triazol-1-yl)-2-azaspiro[3.3]heptan-2-yl]-(3-hydroxyazetidin-1-yl)methanone?
[6-(3-cyclopropyl-1,2,4-triazol-1-yl)-2-azaspiro[3.3]heptan-2-yl]-(3-hydroxyazetidin-1-yl)methanone has a molecular weight of 303.37 g/mol, XLogP of 0.59, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(3-cyclopropyl-1,2,4-triazol-1-yl)-2-azaspiro[3.3]heptan-2-yl]-(3-hydroxyazetidin-1-yl)methanone is sourced from PubChem (CID 170774033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).