3-(2-fluoroethyl)-5-methyl-1,2-dihydrotriazole

C5H10FN3 — CID 137395747

IUPAC3-(2-fluoroethyl)-5-methyl-1,2-dihydrotriazole
SMILESCC1=CN(CCF)NN1
InChIInChI=1S/C5H10FN3/c1-5-4-9(3-2-6)8-7-5/h4,7-8H,2-3H2,1H3
InChIKeyREPYPZXYXXAQET-UHFFFAOYSA-N
MW131.15 g/mol
LogP0.14
Rot. Bonds2

About 3-(2-fluoroethyl)-5-methyl-1,2-dihydrotriazole

3-(2-fluoroethyl)-5-methyl-1,2-dihydrotriazole (PubChem CID 137395747) has the molecular formula C5H10FN3 and a molecular weight of 131.15 g/mol. Its IUPAC name is 3-(2-fluoroethyl)-5-methyl-1,2-dihydrotriazole.

Molecular Properties

Compound Name3-(2-fluoroethyl)-5-methyl-1,2-dihydrotriazole
PubChem CID137395747
Molecular FormulaC5H10FN3
Molecular Weight131.15 g/mol
Exact Mass131.09
IUPAC Name3-(2-fluoroethyl)-5-methyl-1,2-dihydrotriazole
SMILESCC1=CN(CCF)NN1
InChIInChI=1S/C5H10FN3/c1-5-4-9(3-2-6)8-7-5/h4,7-8H,2-3H2,1H3
InChIKeyREPYPZXYXXAQET-UHFFFAOYSA-N
XLogP0.14
TPSA27.30 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.15
LogP ≤ 50.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(2-fluoroethyl)-5-methyl-1,2-dihydrotriazole?
The IUPAC name of 3-(2-fluoroethyl)-5-methyl-1,2-dihydrotriazole (CID 137395747) is 3-(2-fluoroethyl)-5-methyl-1,2-dihydrotriazole.
What is the SMILES notation for 3-(2-fluoroethyl)-5-methyl-1,2-dihydrotriazole?
The canonical SMILES for 3-(2-fluoroethyl)-5-methyl-1,2-dihydrotriazole is CC1=CN(CCF)NN1.
What is the InChIKey of 3-(2-fluoroethyl)-5-methyl-1,2-dihydrotriazole?
The InChIKey is REPYPZXYXXAQET-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10FN3/c1-5-4-9(3-2-6)8-7-5/h4,7-8H,2-3H2,1H3.
What are the key properties of 3-(2-fluoroethyl)-5-methyl-1,2-dihydrotriazole?
3-(2-fluoroethyl)-5-methyl-1,2-dihydrotriazole has a molecular weight of 131.15 g/mol, XLogP of 0.14, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-fluoroethyl)-5-methyl-1,2-dihydrotriazole is sourced from PubChem (CID 137395747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).