4-fluoro-5-propyl-1,5-dihydro-1,2,4-triazole

C5H10FN3 — CID 87806231

IUPAC4-fluoro-5-propyl-1,5-dihydro-1,2,4-triazole
SMILESCCCC1NN=CN1F
InChIInChI=1S/C5H10FN3/c1-2-3-5-8-7-4-9(5)6/h4-5,8H,2-3H2,1H3
InChIKeyVOOHSPFIJIZGPY-UHFFFAOYSA-N
MW131.15 g/mol
LogP0.85
Rot. Bonds2

About 4-fluoro-5-propyl-1,5-dihydro-1,2,4-triazole

4-fluoro-5-propyl-1,5-dihydro-1,2,4-triazole (PubChem CID 87806231) has the molecular formula C5H10FN3 and a molecular weight of 131.15 g/mol. Its IUPAC name is 4-fluoro-5-propyl-1,5-dihydro-1,2,4-triazole.

Molecular Properties

Compound Name4-fluoro-5-propyl-1,5-dihydro-1,2,4-triazole
PubChem CID87806231
Molecular FormulaC5H10FN3
Molecular Weight131.15 g/mol
Exact Mass131.09
IUPAC Name4-fluoro-5-propyl-1,5-dihydro-1,2,4-triazole
SMILESCCCC1NN=CN1F
InChIInChI=1S/C5H10FN3/c1-2-3-5-8-7-4-9(5)6/h4-5,8H,2-3H2,1H3
InChIKeyVOOHSPFIJIZGPY-UHFFFAOYSA-N
XLogP0.85
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.15
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-5-propyl-1,5-dihydro-1,2,4-triazole?
The IUPAC name of 4-fluoro-5-propyl-1,5-dihydro-1,2,4-triazole (CID 87806231) is 4-fluoro-5-propyl-1,5-dihydro-1,2,4-triazole.
What is the SMILES notation for 4-fluoro-5-propyl-1,5-dihydro-1,2,4-triazole?
The canonical SMILES for 4-fluoro-5-propyl-1,5-dihydro-1,2,4-triazole is CCCC1NN=CN1F.
What is the InChIKey of 4-fluoro-5-propyl-1,5-dihydro-1,2,4-triazole?
The InChIKey is VOOHSPFIJIZGPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10FN3/c1-2-3-5-8-7-4-9(5)6/h4-5,8H,2-3H2,1H3.
What are the key properties of 4-fluoro-5-propyl-1,5-dihydro-1,2,4-triazole?
4-fluoro-5-propyl-1,5-dihydro-1,2,4-triazole has a molecular weight of 131.15 g/mol, XLogP of 0.85, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-5-propyl-1,5-dihydro-1,2,4-triazole is sourced from PubChem (CID 87806231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).