4-cyclohexyl-3-[(R)-fluoro(oxetan-3-yl)methyl]-1,2,4-triazole

C12H18FN3O — CID 175875242

IUPAC4-cyclohexyl-3-[(R)-fluoro(oxetan-3-yl)methyl]-1,2,4-triazole
SMILESF[C@@H](c1nncn1C1CCCCC1)C1COC1
InChIInChI=1S/C12H18FN3O/c13-11(9-6-17-7-9)12-15-14-8-16(12)10-4-2-1-3-5-10/h8-11H,1-7H2/t11-/m1/s1
InChIKeyZFGXBPDACAFSLA-LLVKDONJSA-N
MW239.29 g/mol
LogP2.44
Rot. Bonds3

About 4-cyclohexyl-3-[(R)-fluoro(oxetan-3-yl)methyl]-1,2,4-triazole

4-cyclohexyl-3-[(R)-fluoro(oxetan-3-yl)methyl]-1,2,4-triazole (PubChem CID 175875242) has the molecular formula C12H18FN3O and a molecular weight of 239.29 g/mol. Its IUPAC name is 4-cyclohexyl-3-[(R)-fluoro(oxetan-3-yl)methyl]-1,2,4-triazole.

Molecular Properties

Compound Name4-cyclohexyl-3-[(R)-fluoro(oxetan-3-yl)methyl]-1,2,4-triazole
PubChem CID175875242
Molecular FormulaC12H18FN3O
Molecular Weight239.29 g/mol
Exact Mass239.14
IUPAC Name4-cyclohexyl-3-[(R)-fluoro(oxetan-3-yl)methyl]-1,2,4-triazole
SMILESF[C@@H](c1nncn1C1CCCCC1)C1COC1
InChIInChI=1S/C12H18FN3O/c13-11(9-6-17-7-9)12-15-14-8-16(12)10-4-2-1-3-5-10/h8-11H,1-7H2/t11-/m1/s1
InChIKeyZFGXBPDACAFSLA-LLVKDONJSA-N
XLogP2.44
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.29
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(R)-fluoro(oxetan-3-yl)methyl]-4-methyl-1,2,4-triazole
CID 175875223
3-[Fluoro(oxetan-3-yl)methyl]-4-methyl-1,2,4-triazole
CID 175875234
4-cyclopropyl-3-[(S)-fluoro(oxetan-3-yl)methyl]-1,2,4-triazole
CID 175875246
4-cyclopropyl-3-[(R)-fluoro(oxetan-3-yl)methyl]-1,2,4-triazole
CID 175875267
4-Ethyl-3-[fluoro(oxetan-3-yl)methyl]-1,2,4-triazole
CID 175875276
4-(Difluoromethyl)-3-(oxetan-3-ylmethyl)-1,2,4-triazole
CID 175875312
3-[(S)-fluoro(oxetan-3-yl)methyl]-4-methyl-1,2,4-triazole
CID 175875343
4-cyclohexyl-3-[(S)-fluoro(oxetan-3-yl)methyl]-1,2,4-triazole
CID 175875380
3-(3-Methoxybutyl)-4-propan-2-yl-1,2,4-triazole
CID 104161882
3-(3-Methoxybutyl)-4-(2-methylpropyl)-1,2,4-triazole
CID 104161888
3-(Oxan-4-yl)-4-propan-2-yl-1,2,4-triazole
CID 115394004
3-(3-Methoxypropyl)-4-propan-2-yl-1,2,4-triazole
CID 115394026

Frequently Asked Questions

What is the IUPAC name of 4-cyclohexyl-3-[(R)-fluoro(oxetan-3-yl)methyl]-1,2,4-triazole?
The IUPAC name of 4-cyclohexyl-3-[(R)-fluoro(oxetan-3-yl)methyl]-1,2,4-triazole (CID 175875242) is 4-cyclohexyl-3-[(R)-fluoro(oxetan-3-yl)methyl]-1,2,4-triazole.
What is the SMILES notation for 4-cyclohexyl-3-[(R)-fluoro(oxetan-3-yl)methyl]-1,2,4-triazole?
The canonical SMILES for 4-cyclohexyl-3-[(R)-fluoro(oxetan-3-yl)methyl]-1,2,4-triazole is F[C@@H](c1nncn1C1CCCCC1)C1COC1.
What is the InChIKey of 4-cyclohexyl-3-[(R)-fluoro(oxetan-3-yl)methyl]-1,2,4-triazole?
The InChIKey is ZFGXBPDACAFSLA-LLVKDONJSA-N. The full InChI is InChI=1S/C12H18FN3O/c13-11(9-6-17-7-9)12-15-14-8-16(12)10-4-2-1-3-5-10/h8-11H,1-7H2/t11-/m1/s1.
What are the key properties of 4-cyclohexyl-3-[(R)-fluoro(oxetan-3-yl)methyl]-1,2,4-triazole?
4-cyclohexyl-3-[(R)-fluoro(oxetan-3-yl)methyl]-1,2,4-triazole has a molecular weight of 239.29 g/mol, XLogP of 2.44, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclohexyl-3-[(R)-fluoro(oxetan-3-yl)methyl]-1,2,4-triazole is sourced from PubChem (CID 175875242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).