4-cyclopropyl-1-[1-(thiolan-3-yl)azetidin-3-yl]triazole

C12H18N4S — CID 121184465

IUPAC4-cyclopropyl-1-[1-(thiolan-3-yl)azetidin-3-yl]triazole
SMILESc1c(C2CC2)nnn1C1CN(C2CCSC2)C1
InChIInChI=1S/C12H18N4S/c1-2-9(1)12-7-16(14-13-12)11-5-15(6-11)10-3-4-17-8-10/h7,9-11H,1-6,8H2
InChIKeyGQXORFJOBCIAIA-UHFFFAOYSA-N
MW250.37 g/mol
LogP1.52
Rot. Bonds3

About 4-cyclopropyl-1-[1-(thiolan-3-yl)azetidin-3-yl]triazole

4-cyclopropyl-1-[1-(thiolan-3-yl)azetidin-3-yl]triazole (PubChem CID 121184465) has the molecular formula C12H18N4S and a molecular weight of 250.37 g/mol. Its IUPAC name is 4-cyclopropyl-1-[1-(thiolan-3-yl)azetidin-3-yl]triazole.

Molecular Properties

Compound Name4-cyclopropyl-1-[1-(thiolan-3-yl)azetidin-3-yl]triazole
PubChem CID121184465
Molecular FormulaC12H18N4S
Molecular Weight250.37 g/mol
Exact Mass250.13
IUPAC Name4-cyclopropyl-1-[1-(thiolan-3-yl)azetidin-3-yl]triazole
SMILESc1c(C2CC2)nnn1C1CN(C2CCSC2)C1
InChIInChI=1S/C12H18N4S/c1-2-9(1)12-7-16(14-13-12)11-5-15(6-11)10-3-4-17-8-10/h7,9-11H,1-6,8H2
InChIKeyGQXORFJOBCIAIA-UHFFFAOYSA-N
XLogP1.52
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.37
LogP ≤ 51.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 4-cyclopropyl-1-[1-(thiolan-3-yl)azetidin-3-yl]triazole 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 4-cyclopropyl-1-[1-(thiolan-3-yl)azetidin-3-yl]triazole?
The IUPAC name of 4-cyclopropyl-1-[1-(thiolan-3-yl)azetidin-3-yl]triazole (CID 121184465) is 4-cyclopropyl-1-[1-(thiolan-3-yl)azetidin-3-yl]triazole.
What is the SMILES notation for 4-cyclopropyl-1-[1-(thiolan-3-yl)azetidin-3-yl]triazole?
The canonical SMILES for 4-cyclopropyl-1-[1-(thiolan-3-yl)azetidin-3-yl]triazole is c1c(C2CC2)nnn1C1CN(C2CCSC2)C1.
What is the InChIKey of 4-cyclopropyl-1-[1-(thiolan-3-yl)azetidin-3-yl]triazole?
The InChIKey is GQXORFJOBCIAIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4S/c1-2-9(1)12-7-16(14-13-12)11-5-15(6-11)10-3-4-17-8-10/h7,9-11H,1-6,8H2.
What are the key properties of 4-cyclopropyl-1-[1-(thiolan-3-yl)azetidin-3-yl]triazole?
4-cyclopropyl-1-[1-(thiolan-3-yl)azetidin-3-yl]triazole has a molecular weight of 250.37 g/mol, XLogP of 1.52, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopropyl-1-[1-(thiolan-3-yl)azetidin-3-yl]triazole is sourced from PubChem (CID 121184465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).