(3-fluoroazetidin-1-yl)-(5-methyl-2H-triazol-4-yl)methanone

C7H9FN4O — CID 131207222

IUPAC(3-fluoroazetidin-1-yl)-(5-methyl-2H-triazol-4-yl)methanone
SMILESCc1n[nH]nc1C(=O)N1CC(F)C1
InChIInChI=1S/C7H9FN4O/c1-4-6(10-11-9-4)7(13)12-2-5(8)3-12/h5H,2-3H2,1H3,(H,9,10,11)
InChIKeyFBQWIDKAEZAQFT-UHFFFAOYSA-N
MW184.17 g/mol
LogP-0.09
Rot. Bonds1

About (3-fluoroazetidin-1-yl)-(5-methyl-2H-triazol-4-yl)methanone

(3-fluoroazetidin-1-yl)-(5-methyl-2H-triazol-4-yl)methanone (PubChem CID 131207222) has the molecular formula C7H9FN4O and a molecular weight of 184.17 g/mol. Its IUPAC name is (3-fluoroazetidin-1-yl)-(5-methyl-2H-triazol-4-yl)methanone.

Molecular Properties

Compound Name(3-fluoroazetidin-1-yl)-(5-methyl-2H-triazol-4-yl)methanone
PubChem CID131207222
Molecular FormulaC7H9FN4O
Molecular Weight184.17 g/mol
Exact Mass184.08
IUPAC Name(3-fluoroazetidin-1-yl)-(5-methyl-2H-triazol-4-yl)methanone
SMILESCc1n[nH]nc1C(=O)N1CC(F)C1
InChIInChI=1S/C7H9FN4O/c1-4-6(10-11-9-4)7(13)12-2-5(8)3-12/h5H,2-3H2,1H3,(H,9,10,11)
InChIKeyFBQWIDKAEZAQFT-UHFFFAOYSA-N
XLogP-0.09
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.17
LogP ≤ 5-0.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3-fluoroazetidin-1-yl)-(5-methyl-2H-triazol-4-yl)methanone?
The IUPAC name of (3-fluoroazetidin-1-yl)-(5-methyl-2H-triazol-4-yl)methanone (CID 131207222) is (3-fluoroazetidin-1-yl)-(5-methyl-2H-triazol-4-yl)methanone.
What is the SMILES notation for (3-fluoroazetidin-1-yl)-(5-methyl-2H-triazol-4-yl)methanone?
The canonical SMILES for (3-fluoroazetidin-1-yl)-(5-methyl-2H-triazol-4-yl)methanone is Cc1n[nH]nc1C(=O)N1CC(F)C1.
What is the InChIKey of (3-fluoroazetidin-1-yl)-(5-methyl-2H-triazol-4-yl)methanone?
The InChIKey is FBQWIDKAEZAQFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9FN4O/c1-4-6(10-11-9-4)7(13)12-2-5(8)3-12/h5H,2-3H2,1H3,(H,9,10,11).
What are the key properties of (3-fluoroazetidin-1-yl)-(5-methyl-2H-triazol-4-yl)methanone?
(3-fluoroazetidin-1-yl)-(5-methyl-2H-triazol-4-yl)methanone has a molecular weight of 184.17 g/mol, XLogP of -0.09, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-fluoroazetidin-1-yl)-(5-methyl-2H-triazol-4-yl)methanone is sourced from PubChem (CID 131207222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).