1-(2-fluoroethyl)-4-methyltriazole

C5H8FN3 — CID 58251824

IUPAC1-(2-fluoroethyl)-4-methyltriazole
SMILESCc1cn(CCF)nn1
InChIInChI=1S/C5H8FN3/c1-5-4-9(3-2-6)8-7-5/h4H,2-3H2,1H3
InChIKeyYZVHFICGVALXPN-UHFFFAOYSA-N
MW129.14 g/mol
LogP0.56
Rot. Bonds2

About 1-(2-fluoroethyl)-4-methyltriazole

1-(2-fluoroethyl)-4-methyltriazole (PubChem CID 58251824) has the molecular formula C5H8FN3 and a molecular weight of 129.14 g/mol. Its IUPAC name is 1-(2-fluoroethyl)-4-methyltriazole.

Molecular Properties

Compound Name1-(2-fluoroethyl)-4-methyltriazole
PubChem CID58251824
Molecular FormulaC5H8FN3
Molecular Weight129.14 g/mol
Exact Mass129.07
IUPAC Name1-(2-fluoroethyl)-4-methyltriazole
SMILESCc1cn(CCF)nn1
InChIInChI=1S/C5H8FN3/c1-5-4-9(3-2-6)8-7-5/h4H,2-3H2,1H3
InChIKeyYZVHFICGVALXPN-UHFFFAOYSA-N
XLogP0.56
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.14
LogP ≤ 50.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2-fluoroethyl)-4-methyltriazole?
The IUPAC name of 1-(2-fluoroethyl)-4-methyltriazole (CID 58251824) is 1-(2-fluoroethyl)-4-methyltriazole.
What is the SMILES notation for 1-(2-fluoroethyl)-4-methyltriazole?
The canonical SMILES for 1-(2-fluoroethyl)-4-methyltriazole is Cc1cn(CCF)nn1.
What is the InChIKey of 1-(2-fluoroethyl)-4-methyltriazole?
The InChIKey is YZVHFICGVALXPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8FN3/c1-5-4-9(3-2-6)8-7-5/h4H,2-3H2,1H3.
What are the key properties of 1-(2-fluoroethyl)-4-methyltriazole?
1-(2-fluoroethyl)-4-methyltriazole has a molecular weight of 129.14 g/mol, XLogP of 0.56, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluoroethyl)-4-methyltriazole is sourced from PubChem (CID 58251824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).