5-fluoro-1-propan-2-yl-1,2,4-triazole

C5H8FN3 — CID 105427410

IUPAC5-fluoro-1-propan-2-yl-1,2,4-triazole
SMILESCC(C)n1ncnc1F
InChIInChI=1S/C5H8FN3/c1-4(2)9-5(6)7-3-8-9/h3-4H,1-2H3
InChIKeyJNBRWSICDQVBJN-UHFFFAOYSA-N
MW129.14 g/mol
LogP1.00
Rot. Bonds1

About 5-fluoro-1-propan-2-yl-1,2,4-triazole

5-fluoro-1-propan-2-yl-1,2,4-triazole (PubChem CID 105427410) has the molecular formula C5H8FN3 and a molecular weight of 129.14 g/mol. Its IUPAC name is 5-fluoro-1-propan-2-yl-1,2,4-triazole.

Molecular Properties

Compound Name5-fluoro-1-propan-2-yl-1,2,4-triazole
PubChem CID105427410
Molecular FormulaC5H8FN3
Molecular Weight129.14 g/mol
Exact Mass129.07
IUPAC Name5-fluoro-1-propan-2-yl-1,2,4-triazole
SMILESCC(C)n1ncnc1F
InChIInChI=1S/C5H8FN3/c1-4(2)9-5(6)7-3-8-9/h3-4H,1-2H3
InChIKeyJNBRWSICDQVBJN-UHFFFAOYSA-N
XLogP1.00
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.14
LogP ≤ 51.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-1-propan-2-yl-1,2,4-triazole?
The IUPAC name of 5-fluoro-1-propan-2-yl-1,2,4-triazole (CID 105427410) is 5-fluoro-1-propan-2-yl-1,2,4-triazole.
What is the SMILES notation for 5-fluoro-1-propan-2-yl-1,2,4-triazole?
The canonical SMILES for 5-fluoro-1-propan-2-yl-1,2,4-triazole is CC(C)n1ncnc1F.
What is the InChIKey of 5-fluoro-1-propan-2-yl-1,2,4-triazole?
The InChIKey is JNBRWSICDQVBJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8FN3/c1-4(2)9-5(6)7-3-8-9/h3-4H,1-2H3.
What are the key properties of 5-fluoro-1-propan-2-yl-1,2,4-triazole?
5-fluoro-1-propan-2-yl-1,2,4-triazole has a molecular weight of 129.14 g/mol, XLogP of 1.00, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-1-propan-2-yl-1,2,4-triazole is sourced from PubChem (CID 105427410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).