3-(3-fluoroazetidin-3-yl)-4-methyl-1,2,4-triazole

C6H9FN4 — CID 130758217

IUPAC3-(3-fluoroazetidin-3-yl)-4-methyl-1,2,4-triazole
SMILESCn1cnnc1C1(F)CNC1
InChIInChI=1S/C6H9FN4/c1-11-4-9-10-5(11)6(7)2-8-3-6/h4,8H,2-3H2,1H3
InChIKeyUAHKNFRCZXCFFZ-UHFFFAOYSA-N
MW156.16 g/mol
LogP-0.42
Rot. Bonds1

About 3-(3-fluoroazetidin-3-yl)-4-methyl-1,2,4-triazole

3-(3-fluoroazetidin-3-yl)-4-methyl-1,2,4-triazole (PubChem CID 130758217) has the molecular formula C6H9FN4 and a molecular weight of 156.16 g/mol. Its IUPAC name is 3-(3-fluoroazetidin-3-yl)-4-methyl-1,2,4-triazole.

Molecular Properties

Compound Name3-(3-fluoroazetidin-3-yl)-4-methyl-1,2,4-triazole
PubChem CID130758217
Molecular FormulaC6H9FN4
Molecular Weight156.16 g/mol
Exact Mass156.08
IUPAC Name3-(3-fluoroazetidin-3-yl)-4-methyl-1,2,4-triazole
SMILESCn1cnnc1C1(F)CNC1
InChIInChI=1S/C6H9FN4/c1-11-4-9-10-5(11)6(7)2-8-3-6/h4,8H,2-3H2,1H3
InChIKeyUAHKNFRCZXCFFZ-UHFFFAOYSA-N
XLogP-0.42
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.16
LogP ≤ 5-0.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(3-fluoroazetidin-3-yl)-4-methyl-1,2,4-triazole?
The IUPAC name of 3-(3-fluoroazetidin-3-yl)-4-methyl-1,2,4-triazole (CID 130758217) is 3-(3-fluoroazetidin-3-yl)-4-methyl-1,2,4-triazole.
What is the SMILES notation for 3-(3-fluoroazetidin-3-yl)-4-methyl-1,2,4-triazole?
The canonical SMILES for 3-(3-fluoroazetidin-3-yl)-4-methyl-1,2,4-triazole is Cn1cnnc1C1(F)CNC1.
What is the InChIKey of 3-(3-fluoroazetidin-3-yl)-4-methyl-1,2,4-triazole?
The InChIKey is UAHKNFRCZXCFFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9FN4/c1-11-4-9-10-5(11)6(7)2-8-3-6/h4,8H,2-3H2,1H3.
What are the key properties of 3-(3-fluoroazetidin-3-yl)-4-methyl-1,2,4-triazole?
3-(3-fluoroazetidin-3-yl)-4-methyl-1,2,4-triazole has a molecular weight of 156.16 g/mol, XLogP of -0.42, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-fluoroazetidin-3-yl)-4-methyl-1,2,4-triazole is sourced from PubChem (CID 130758217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).