3-fluoro-1,5-di(propan-2-yl)-1,2,4-triazole

C8H14FN3 — CID 176773800

IUPAC3-fluoro-1,5-di(propan-2-yl)-1,2,4-triazole
SMILESCC(C)c1nc(F)nn1C(C)C
InChIInChI=1S/C8H14FN3/c1-5(2)7-10-8(9)11-12(7)6(3)4/h5-6H,1-4H3
InChIKeyBILZLVOGGCIFBC-UHFFFAOYSA-N
MW171.22 g/mol
LogP2.12
Rot. Bonds2

About 3-fluoro-1,5-di(propan-2-yl)-1,2,4-triazole

3-fluoro-1,5-di(propan-2-yl)-1,2,4-triazole (PubChem CID 176773800) has the molecular formula C8H14FN3 and a molecular weight of 171.22 g/mol. Its IUPAC name is 3-fluoro-1,5-di(propan-2-yl)-1,2,4-triazole.

Molecular Properties

Compound Name3-fluoro-1,5-di(propan-2-yl)-1,2,4-triazole
PubChem CID176773800
Molecular FormulaC8H14FN3
Molecular Weight171.22 g/mol
Exact Mass171.12
IUPAC Name3-fluoro-1,5-di(propan-2-yl)-1,2,4-triazole
SMILESCC(C)c1nc(F)nn1C(C)C
InChIInChI=1S/C8H14FN3/c1-5(2)7-10-8(9)11-12(7)6(3)4/h5-6H,1-4H3
InChIKeyBILZLVOGGCIFBC-UHFFFAOYSA-N
XLogP2.12
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.22
LogP ≤ 52.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-Fluoropropyl)-4,5-dimethyl-3-(trifluoromethyl)-1,2,4-triazol-4-ium
CID 91186237
5-isopropyl-1-methyl-1H-1,2,4-triazole
CID 15496056
1,3-Dimethyl-5-propan-2-yl-1,2,4-triazole
CID 18338551
3,4-Dimethyl-5-propan-2-yl-1,2,4-triazole
CID 20597165
1-(3-Fluoropropyl)-5-methyl-3-(trifluoromethyl)-1,2,4-triazole
CID 85946582
1,5-Di(propan-2-yl)-3-(trifluoromethyl)-1,2,4-triazole
CID 57973778
3,4-Di(propan-2-yl)-5-(trifluoromethyl)-1,2,4-triazole
CID 57973802
5-Propan-2-yl-1-(2,2,2-trifluoroethyl)-1,2,4-triazole
CID 58203888
5-Tert-butyl-1-methyl-3-(trifluoromethyl)-1,2,4-triazole
CID 59539753
3-Methyl-5-propan-2-yl-1-(2,2,2-trifluoroethyl)-1,2,4-triazole
CID 68355367
3,5-Dimethyl-1-(2,2,2-trifluoroethyl)-1,2,4-triazole
CID 68355488
5-Propan-2-yl-1-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-amine
CID 68393362

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-1,5-di(propan-2-yl)-1,2,4-triazole?
The IUPAC name of 3-fluoro-1,5-di(propan-2-yl)-1,2,4-triazole (CID 176773800) is 3-fluoro-1,5-di(propan-2-yl)-1,2,4-triazole.
What is the SMILES notation for 3-fluoro-1,5-di(propan-2-yl)-1,2,4-triazole?
The canonical SMILES for 3-fluoro-1,5-di(propan-2-yl)-1,2,4-triazole is CC(C)c1nc(F)nn1C(C)C.
What is the InChIKey of 3-fluoro-1,5-di(propan-2-yl)-1,2,4-triazole?
The InChIKey is BILZLVOGGCIFBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14FN3/c1-5(2)7-10-8(9)11-12(7)6(3)4/h5-6H,1-4H3.
What are the key properties of 3-fluoro-1,5-di(propan-2-yl)-1,2,4-triazole?
3-fluoro-1,5-di(propan-2-yl)-1,2,4-triazole has a molecular weight of 171.22 g/mol, XLogP of 2.12, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-1,5-di(propan-2-yl)-1,2,4-triazole is sourced from PubChem (CID 176773800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).