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

C5H8FN3 — CID 170395825

IUPAC3-fluoro-1-propan-2-yl-1,2,4-triazole
SMILESCC(C)n1cnc(F)n1
InChIInChI=1S/C5H8FN3/c1-4(2)9-3-7-5(6)8-9/h3-4H,1-2H3
InChIKeyHGAAVDMUPYAJNP-UHFFFAOYSA-N
MW129.14 g/mol
LogP1.00
Rot. Bonds1

About 3-fluoro-1-propan-2-yl-1,2,4-triazole

3-fluoro-1-propan-2-yl-1,2,4-triazole (PubChem CID 170395825) has the molecular formula C5H8FN3 and a molecular weight of 129.14 g/mol. Its IUPAC name is 3-fluoro-1-propan-2-yl-1,2,4-triazole.

Molecular Properties

Compound Name3-fluoro-1-propan-2-yl-1,2,4-triazole
PubChem CID170395825
Molecular FormulaC5H8FN3
Molecular Weight129.14 g/mol
Exact Mass129.07
IUPAC Name3-fluoro-1-propan-2-yl-1,2,4-triazole
SMILESCC(C)n1cnc(F)n1
InChIInChI=1S/C5H8FN3/c1-4(2)9-3-7-5(6)8-9/h3-4H,1-2H3
InChIKeyHGAAVDMUPYAJNP-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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Related Compounds

3-isocyano-1-propan-2-yl-1,2,4-triazole
CID 167343650
3-phenyl-1-propan-2-yl-1,2,4-triazole
CID 141370525
1-propan-2-yl-1,2,4-triazole-3-carboxamide
CID 20680311
1-propan-2-yl-1,2,4-triazole-3-carboxylate
CID 140659841
4-bromo-3-iodo-1-propan-2-ylpyrazole
CID 79785174
3-bromo-4-methyl-1-propan-2-ylpyrazole
CID 130138856
4-chloro-7-fluoro-2-propan-2-ylpyrazolo[4,3-c]pyridine
CID 175943862
3-(5-methyldecan-5-yl)-1-propan-2-yl-1,2,4-triazole
CID 138574772
3-[(2-bromo-5-fluorophenoxy)methyl]-1-propan-2-ylpyrazole
CID 81496305
2-(difluoromethoxy)-4-(1-propan-2-yl-1,2,4-triazol-3-yl)aniline
CID 175969955
2-(3-bromo-5-propan-2-yl-1,2,4-triazol-1-yl)-5-fluoropyridine
CID 156732322
3,4-dimethyl-1-propan-2-ylpyrazole;ethane
CID 144607335

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-1-propan-2-yl-1,2,4-triazole?
The IUPAC name of 3-fluoro-1-propan-2-yl-1,2,4-triazole (CID 170395825) is 3-fluoro-1-propan-2-yl-1,2,4-triazole.
What is the SMILES notation for 3-fluoro-1-propan-2-yl-1,2,4-triazole?
The canonical SMILES for 3-fluoro-1-propan-2-yl-1,2,4-triazole is CC(C)n1cnc(F)n1.
What is the InChIKey of 3-fluoro-1-propan-2-yl-1,2,4-triazole?
The InChIKey is HGAAVDMUPYAJNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8FN3/c1-4(2)9-3-7-5(6)8-9/h3-4H,1-2H3.
What are the key properties of 3-fluoro-1-propan-2-yl-1,2,4-triazole?
3-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 3-fluoro-1-propan-2-yl-1,2,4-triazole is sourced from PubChem (CID 170395825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).