5-fluoro-1H-1,2,4-triazole

C2H2FN3 — CID 45117656

IUPAC5-fluoro-1H-1,2,4-triazole
SMILESFc1ncn[nH]1
InChIInChI=1S/C2H2FN3/c3-2-4-1-5-6-2/h1H,(H,4,5,6)
InChIKeySOBHMFCHWRGFAU-UHFFFAOYSA-N
MW87.06 g/mol
LogP-0.06
Rot. Bonds

About 5-fluoro-1H-1,2,4-triazole

5-fluoro-1H-1,2,4-triazole (PubChem CID 45117656) has the molecular formula C2H2FN3 and a molecular weight of 87.06 g/mol. Its IUPAC name is 5-fluoro-1H-1,2,4-triazole.

Molecular Properties

Compound Name5-fluoro-1H-1,2,4-triazole
PubChem CID45117656
Molecular FormulaC2H2FN3
Molecular Weight87.06 g/mol
Exact Mass87.02
IUPAC Name5-fluoro-1H-1,2,4-triazole
SMILESFc1ncn[nH]1
InChIInChI=1S/C2H2FN3/c3-2-4-1-5-6-2/h1H,(H,4,5,6)
InChIKeySOBHMFCHWRGFAU-UHFFFAOYSA-N
XLogP-0.06
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50087.06
LogP ≤ 5-0.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-1H-1,2,4-triazole?
The IUPAC name of 5-fluoro-1H-1,2,4-triazole (CID 45117656) is 5-fluoro-1H-1,2,4-triazole.
What is the SMILES notation for 5-fluoro-1H-1,2,4-triazole?
The canonical SMILES for 5-fluoro-1H-1,2,4-triazole is Fc1ncn[nH]1.
What is the InChIKey of 5-fluoro-1H-1,2,4-triazole?
The InChIKey is SOBHMFCHWRGFAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H2FN3/c3-2-4-1-5-6-2/h1H,(H,4,5,6).
What are the key properties of 5-fluoro-1H-1,2,4-triazole?
5-fluoro-1H-1,2,4-triazole has a molecular weight of 87.06 g/mol, XLogP of -0.06, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-1H-1,2,4-triazole is sourced from PubChem (CID 45117656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).