5-(1-fluorocyclopropyl)-1-propan-2-yl-1,2,4-triazole

C8H12FN3 — CID 146512480

IUPAC5-(1-fluorocyclopropyl)-1-propan-2-yl-1,2,4-triazole
SMILESCC(C)n1ncnc1C1(F)CC1
InChIInChI=1S/C8H12FN3/c1-6(2)12-7(10-5-11-12)8(9)3-4-8/h5-6H,3-4H2,1-2H3
InChIKeyFEIWIMHAWQKUIJ-UHFFFAOYSA-N
MW169.20 g/mol
LogP1.82
Rot. Bonds2

About 5-(1-fluorocyclopropyl)-1-propan-2-yl-1,2,4-triazole

5-(1-fluorocyclopropyl)-1-propan-2-yl-1,2,4-triazole (PubChem CID 146512480) has the molecular formula C8H12FN3 and a molecular weight of 169.20 g/mol. Its IUPAC name is 5-(1-fluorocyclopropyl)-1-propan-2-yl-1,2,4-triazole.

Molecular Properties

Compound Name5-(1-fluorocyclopropyl)-1-propan-2-yl-1,2,4-triazole
PubChem CID146512480
Molecular FormulaC8H12FN3
Molecular Weight169.20 g/mol
Exact Mass169.10
IUPAC Name5-(1-fluorocyclopropyl)-1-propan-2-yl-1,2,4-triazole
SMILESCC(C)n1ncnc1C1(F)CC1
InChIInChI=1S/C8H12FN3/c1-6(2)12-7(10-5-11-12)8(9)3-4-8/h5-6H,3-4H2,1-2H3
InChIKeyFEIWIMHAWQKUIJ-UHFFFAOYSA-N
XLogP1.82
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.20
LogP ≤ 51.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-Cyclopropyl-1-methyl-1,2,4-triazole
CID 15496057
3-Butyl-1-(3,3,3-trifluoropropyl)-1,2,4-triazole
CID 21869109
1-Butan-2-yl-5-(1,1-difluorobutyl)-1,2,4-triazole
CID 54455565
1,5-Di(propan-2-yl)-3-(trifluoromethyl)-1,2,4-triazole
CID 57973778
5-Propan-2-yl-1-(2,2,2-trifluoroethyl)-1,2,4-triazole
CID 58203888
1-Propan-2-yl-3-(trifluoromethyl)-1,2,4-triazole
CID 58977190
4-Propan-2-yl-3-(2,2,2-trifluoroethyl)-1,2,4-triazole
CID 115393820
1-Butyl-3-(trifluoromethyl)-1,2,4-triazole
CID 117913838
1-(2-Fluoroethyl)-3-propan-2-yl-1,2,4-triazole
CID 118462858
2-[2-(2-Fluoro-2-methylpropyl)-1,2,4-triazol-3-yl]propan-1-imine
CID 123905502
1-(2,2-Difluoropropyl)-5-propan-2-yl-1,2,4-triazole
CID 126709480
3-(2-Fluoropropan-2-yl)-1-propan-2-yl-1,2,4-triazole
CID 134536518

Frequently Asked Questions

What is the IUPAC name of 5-(1-fluorocyclopropyl)-1-propan-2-yl-1,2,4-triazole?
The IUPAC name of 5-(1-fluorocyclopropyl)-1-propan-2-yl-1,2,4-triazole (CID 146512480) is 5-(1-fluorocyclopropyl)-1-propan-2-yl-1,2,4-triazole.
What is the SMILES notation for 5-(1-fluorocyclopropyl)-1-propan-2-yl-1,2,4-triazole?
The canonical SMILES for 5-(1-fluorocyclopropyl)-1-propan-2-yl-1,2,4-triazole is CC(C)n1ncnc1C1(F)CC1.
What is the InChIKey of 5-(1-fluorocyclopropyl)-1-propan-2-yl-1,2,4-triazole?
The InChIKey is FEIWIMHAWQKUIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12FN3/c1-6(2)12-7(10-5-11-12)8(9)3-4-8/h5-6H,3-4H2,1-2H3.
What are the key properties of 5-(1-fluorocyclopropyl)-1-propan-2-yl-1,2,4-triazole?
5-(1-fluorocyclopropyl)-1-propan-2-yl-1,2,4-triazole has a molecular weight of 169.20 g/mol, XLogP of 1.82, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-fluorocyclopropyl)-1-propan-2-yl-1,2,4-triazole is sourced from PubChem (CID 146512480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).