4-butyl-5-fluoro-2H-triazole

C6H10FN3 — CID 69382432

IUPAC4-butyl-5-fluoro-2H-triazole
SMILESCCCCc1n[nH]nc1F
InChIInChI=1S/C6H10FN3/c1-2-3-4-5-6(7)9-10-8-5/h2-4H2,1H3,(H,8,9,10)
InChIKeyXHDBRJIQRMAMNA-UHFFFAOYSA-N
MW143.16 g/mol
LogP1.29
Rot. Bonds3

About 4-butyl-5-fluoro-2H-triazole

4-butyl-5-fluoro-2H-triazole (PubChem CID 69382432) has the molecular formula C6H10FN3 and a molecular weight of 143.16 g/mol. Its IUPAC name is 4-butyl-5-fluoro-2H-triazole.

Molecular Properties

Compound Name4-butyl-5-fluoro-2H-triazole
PubChem CID69382432
Molecular FormulaC6H10FN3
Molecular Weight143.16 g/mol
Exact Mass143.09
IUPAC Name4-butyl-5-fluoro-2H-triazole
SMILESCCCCc1n[nH]nc1F
InChIInChI=1S/C6H10FN3/c1-2-3-4-5-6(7)9-10-8-5/h2-4H2,1H3,(H,8,9,10)
InChIKeyXHDBRJIQRMAMNA-UHFFFAOYSA-N
XLogP1.29
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.16
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-butyl-5-fluoro-2H-triazole?
The IUPAC name of 4-butyl-5-fluoro-2H-triazole (CID 69382432) is 4-butyl-5-fluoro-2H-triazole.
What is the SMILES notation for 4-butyl-5-fluoro-2H-triazole?
The canonical SMILES for 4-butyl-5-fluoro-2H-triazole is CCCCc1n[nH]nc1F.
What is the InChIKey of 4-butyl-5-fluoro-2H-triazole?
The InChIKey is XHDBRJIQRMAMNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10FN3/c1-2-3-4-5-6(7)9-10-8-5/h2-4H2,1H3,(H,8,9,10).
What are the key properties of 4-butyl-5-fluoro-2H-triazole?
4-butyl-5-fluoro-2H-triazole has a molecular weight of 143.16 g/mol, XLogP of 1.29, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butyl-5-fluoro-2H-triazole is sourced from PubChem (CID 69382432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).