3-(fluoromethyl)-1,5-dimethyl-1,2,4-triazole

C5H8FN3 — CID 89042885

IUPAC3-(fluoromethyl)-1,5-dimethyl-1,2,4-triazole
SMILESCc1nc(CF)nn1C
InChIInChI=1S/C5H8FN3/c1-4-7-5(3-6)8-9(4)2/h3H2,1-2H3
InChIKeyNXXMDYBDPHQNJL-UHFFFAOYSA-N
MW129.14 g/mol
LogP0.59
Rot. Bonds1

About 3-(fluoromethyl)-1,5-dimethyl-1,2,4-triazole

3-(fluoromethyl)-1,5-dimethyl-1,2,4-triazole (PubChem CID 89042885) has the molecular formula C5H8FN3 and a molecular weight of 129.14 g/mol. Its IUPAC name is 3-(fluoromethyl)-1,5-dimethyl-1,2,4-triazole.

Molecular Properties

Compound Name3-(fluoromethyl)-1,5-dimethyl-1,2,4-triazole
PubChem CID89042885
Molecular FormulaC5H8FN3
Molecular Weight129.14 g/mol
Exact Mass129.07
IUPAC Name3-(fluoromethyl)-1,5-dimethyl-1,2,4-triazole
SMILESCc1nc(CF)nn1C
InChIInChI=1S/C5H8FN3/c1-4-7-5(3-6)8-9(4)2/h3H2,1-2H3
InChIKeyNXXMDYBDPHQNJL-UHFFFAOYSA-N
XLogP0.59
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.14
LogP ≤ 50.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(fluoromethyl)-1,5-dimethyl-1,2,4-triazole?
The IUPAC name of 3-(fluoromethyl)-1,5-dimethyl-1,2,4-triazole (CID 89042885) is 3-(fluoromethyl)-1,5-dimethyl-1,2,4-triazole.
What is the SMILES notation for 3-(fluoromethyl)-1,5-dimethyl-1,2,4-triazole?
The canonical SMILES for 3-(fluoromethyl)-1,5-dimethyl-1,2,4-triazole is Cc1nc(CF)nn1C.
What is the InChIKey of 3-(fluoromethyl)-1,5-dimethyl-1,2,4-triazole?
The InChIKey is NXXMDYBDPHQNJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8FN3/c1-4-7-5(3-6)8-9(4)2/h3H2,1-2H3.
What are the key properties of 3-(fluoromethyl)-1,5-dimethyl-1,2,4-triazole?
3-(fluoromethyl)-1,5-dimethyl-1,2,4-triazole has a molecular weight of 129.14 g/mol, XLogP of 0.59, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(fluoromethyl)-1,5-dimethyl-1,2,4-triazole is sourced from PubChem (CID 89042885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).