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

C5H8FN3 — CID 22506930

IUPAC4-(1-fluoropropyl)-2H-triazole
SMILESCCC(F)c1cn[nH]n1
InChIInChI=1S/C5H8FN3/c1-2-4(6)5-3-7-9-8-5/h3-4H,2H2,1H3,(H,7,8,9)
InChIKeyACJQLNSMSJUNGI-UHFFFAOYSA-N
MW129.14 g/mol
LogP1.23
Rot. Bonds2

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

4-(1-fluoropropyl)-2H-triazole (PubChem CID 22506930) has the molecular formula C5H8FN3 and a molecular weight of 129.14 g/mol. Its IUPAC name is 4-(1-fluoropropyl)-2H-triazole.

Molecular Properties

Compound Name4-(1-fluoropropyl)-2H-triazole
PubChem CID22506930
Molecular FormulaC5H8FN3
Molecular Weight129.14 g/mol
Exact Mass129.07
IUPAC Name4-(1-fluoropropyl)-2H-triazole
SMILESCCC(F)c1cn[nH]n1
InChIInChI=1S/C5H8FN3/c1-2-4(6)5-3-7-9-8-5/h3-4H,2H2,1H3,(H,7,8,9)
InChIKeyACJQLNSMSJUNGI-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 4-(1-fluoropropyl)-2H-triazole?
The IUPAC name of 4-(1-fluoropropyl)-2H-triazole (CID 22506930) is 4-(1-fluoropropyl)-2H-triazole.
What is the SMILES notation for 4-(1-fluoropropyl)-2H-triazole?
The canonical SMILES for 4-(1-fluoropropyl)-2H-triazole is CCC(F)c1cn[nH]n1.
What is the InChIKey of 4-(1-fluoropropyl)-2H-triazole?
The InChIKey is ACJQLNSMSJUNGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8FN3/c1-2-4(6)5-3-7-9-8-5/h3-4H,2H2,1H3,(H,7,8,9).
What are the key properties of 4-(1-fluoropropyl)-2H-triazole?
4-(1-fluoropropyl)-2H-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 4-(1-fluoropropyl)-2H-triazole is sourced from PubChem (CID 22506930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).