5-(1-fluoropropyl)-1H-1,2,4-triazole

C5H8FN3 — CID 67572104

IUPAC5-(1-fluoropropyl)-1H-1,2,4-triazole
SMILESCCC(F)c1ncn[nH]1
InChIInChI=1S/C5H8FN3/c1-2-4(6)5-7-3-8-9-5/h3-4H,2H2,1H3,(H,7,8,9)
InChIKeyZWGDDTOIHLMPOK-UHFFFAOYSA-N
MW129.14 g/mol
LogP1.23
Rot. Bonds2

About 5-(1-fluoropropyl)-1H-1,2,4-triazole

5-(1-fluoropropyl)-1H-1,2,4-triazole (PubChem CID 67572104) has the molecular formula C5H8FN3 and a molecular weight of 129.14 g/mol. Its IUPAC name is 5-(1-fluoropropyl)-1H-1,2,4-triazole.

Molecular Properties

Compound Name5-(1-fluoropropyl)-1H-1,2,4-triazole
PubChem CID67572104
Molecular FormulaC5H8FN3
Molecular Weight129.14 g/mol
Exact Mass129.07
IUPAC Name5-(1-fluoropropyl)-1H-1,2,4-triazole
SMILESCCC(F)c1ncn[nH]1
InChIInChI=1S/C5H8FN3/c1-2-4(6)5-7-3-8-9-5/h3-4H,2H2,1H3,(H,7,8,9)
InChIKeyZWGDDTOIHLMPOK-UHFFFAOYSA-N
XLogP1.23
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.14
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(1-fluoropropyl)-1H-1,2,4-triazole?
The IUPAC name of 5-(1-fluoropropyl)-1H-1,2,4-triazole (CID 67572104) is 5-(1-fluoropropyl)-1H-1,2,4-triazole.
What is the SMILES notation for 5-(1-fluoropropyl)-1H-1,2,4-triazole?
The canonical SMILES for 5-(1-fluoropropyl)-1H-1,2,4-triazole is CCC(F)c1ncn[nH]1.
What is the InChIKey of 5-(1-fluoropropyl)-1H-1,2,4-triazole?
The InChIKey is ZWGDDTOIHLMPOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8FN3/c1-2-4(6)5-7-3-8-9-5/h3-4H,2H2,1H3,(H,7,8,9).
What are the key properties of 5-(1-fluoropropyl)-1H-1,2,4-triazole?
5-(1-fluoropropyl)-1H-1,2,4-triazole has a molecular weight of 129.14 g/mol, XLogP of 1.23, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-fluoropropyl)-1H-1,2,4-triazole is sourced from PubChem (CID 67572104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).