4-[(3-fluoroazetidin-1-yl)methyl]-1-methyltriazole

C7H11FN4 — CID 131101712

IUPAC4-[(3-fluoroazetidin-1-yl)methyl]-1-methyltriazole
SMILESCn1cc(CN2CC(F)C2)nn1
InChIInChI=1S/C7H11FN4/c1-11-4-7(9-10-11)5-12-2-6(8)3-12/h4,6H,2-3,5H2,1H3
InChIKeyDCTUYWYSGCKJPI-UHFFFAOYSA-N
MW170.19 g/mol
LogP-0.03
Rot. Bonds2

About 4-[(3-fluoroazetidin-1-yl)methyl]-1-methyltriazole

4-[(3-fluoroazetidin-1-yl)methyl]-1-methyltriazole (PubChem CID 131101712) has the molecular formula C7H11FN4 and a molecular weight of 170.19 g/mol. Its IUPAC name is 4-[(3-fluoroazetidin-1-yl)methyl]-1-methyltriazole.

Molecular Properties

Compound Name4-[(3-fluoroazetidin-1-yl)methyl]-1-methyltriazole
PubChem CID131101712
Molecular FormulaC7H11FN4
Molecular Weight170.19 g/mol
Exact Mass170.10
IUPAC Name4-[(3-fluoroazetidin-1-yl)methyl]-1-methyltriazole
SMILESCn1cc(CN2CC(F)C2)nn1
InChIInChI=1S/C7H11FN4/c1-11-4-7(9-10-11)5-12-2-6(8)3-12/h4,6H,2-3,5H2,1H3
InChIKeyDCTUYWYSGCKJPI-UHFFFAOYSA-N
XLogP-0.03
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.19
LogP ≤ 5-0.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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1-[(1-methyltriazol-4-yl)methyl]piperazine
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4-[(1-methyltriazol-4-yl)methyl]morpholine-2-carbothioamide
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4-bromo-1-[(1-methyltriazol-4-yl)methyl]azepane
CID 130678061
(3aR,5R,6R,7aS)-6-(4-fluorophenoxy)-2-[(1-methyltriazol-4-yl)methyl]-1,3,3a,4,5,6,7,7a-octahydroisoindol-5-ol
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3-ethyl-N-methyl-1-[(1-methyltriazol-4-yl)methyl]piperidin-4-amine
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Frequently Asked Questions

What is the IUPAC name of 4-[(3-fluoroazetidin-1-yl)methyl]-1-methyltriazole?
The IUPAC name of 4-[(3-fluoroazetidin-1-yl)methyl]-1-methyltriazole (CID 131101712) is 4-[(3-fluoroazetidin-1-yl)methyl]-1-methyltriazole.
What is the SMILES notation for 4-[(3-fluoroazetidin-1-yl)methyl]-1-methyltriazole?
The canonical SMILES for 4-[(3-fluoroazetidin-1-yl)methyl]-1-methyltriazole is Cn1cc(CN2CC(F)C2)nn1.
What is the InChIKey of 4-[(3-fluoroazetidin-1-yl)methyl]-1-methyltriazole?
The InChIKey is DCTUYWYSGCKJPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11FN4/c1-11-4-7(9-10-11)5-12-2-6(8)3-12/h4,6H,2-3,5H2,1H3.
What are the key properties of 4-[(3-fluoroazetidin-1-yl)methyl]-1-methyltriazole?
4-[(3-fluoroazetidin-1-yl)methyl]-1-methyltriazole has a molecular weight of 170.19 g/mol, XLogP of -0.03, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-fluoroazetidin-1-yl)methyl]-1-methyltriazole is sourced from PubChem (CID 131101712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).