4-cyclopropyl-3-[(S)-fluoro(oxetan-3-yl)methyl]-1,2,4-triazole

C9H12FN3O — CID 175875246

IUPAC4-cyclopropyl-3-[(S)-fluoro(oxetan-3-yl)methyl]-1,2,4-triazole
SMILESF[C@H](c1nncn1C1CC1)C1COC1
InChIInChI=1S/C9H12FN3O/c10-8(6-3-14-4-6)9-12-11-5-13(9)7-1-2-7/h5-8H,1-4H2/t8-/m0/s1
InChIKeyIFFYIQFHFBGSBG-QMMMGPOBSA-N
MW197.21 g/mol
LogP1.27
Rot. Bonds3

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

4-cyclopropyl-3-[(S)-fluoro(oxetan-3-yl)methyl]-1,2,4-triazole (PubChem CID 175875246) has the molecular formula C9H12FN3O and a molecular weight of 197.21 g/mol. Its IUPAC name is 4-cyclopropyl-3-[(S)-fluoro(oxetan-3-yl)methyl]-1,2,4-triazole.

Molecular Properties

Compound Name4-cyclopropyl-3-[(S)-fluoro(oxetan-3-yl)methyl]-1,2,4-triazole
PubChem CID175875246
Molecular FormulaC9H12FN3O
Molecular Weight197.21 g/mol
Exact Mass197.10
IUPAC Name4-cyclopropyl-3-[(S)-fluoro(oxetan-3-yl)methyl]-1,2,4-triazole
SMILESF[C@H](c1nncn1C1CC1)C1COC1
InChIInChI=1S/C9H12FN3O/c10-8(6-3-14-4-6)9-12-11-5-13(9)7-1-2-7/h5-8H,1-4H2/t8-/m0/s1
InChIKeyIFFYIQFHFBGSBG-QMMMGPOBSA-N
XLogP1.27
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.21
LogP ≤ 51.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-cyclopropyl-3-[(S)-fluoro(oxetan-3-yl)methyl]-1,2,4-triazole?
The IUPAC name of 4-cyclopropyl-3-[(S)-fluoro(oxetan-3-yl)methyl]-1,2,4-triazole (CID 175875246) is 4-cyclopropyl-3-[(S)-fluoro(oxetan-3-yl)methyl]-1,2,4-triazole.
What is the SMILES notation for 4-cyclopropyl-3-[(S)-fluoro(oxetan-3-yl)methyl]-1,2,4-triazole?
The canonical SMILES for 4-cyclopropyl-3-[(S)-fluoro(oxetan-3-yl)methyl]-1,2,4-triazole is F[C@H](c1nncn1C1CC1)C1COC1.
What is the InChIKey of 4-cyclopropyl-3-[(S)-fluoro(oxetan-3-yl)methyl]-1,2,4-triazole?
The InChIKey is IFFYIQFHFBGSBG-QMMMGPOBSA-N. The full InChI is InChI=1S/C9H12FN3O/c10-8(6-3-14-4-6)9-12-11-5-13(9)7-1-2-7/h5-8H,1-4H2/t8-/m0/s1.
What are the key properties of 4-cyclopropyl-3-[(S)-fluoro(oxetan-3-yl)methyl]-1,2,4-triazole?
4-cyclopropyl-3-[(S)-fluoro(oxetan-3-yl)methyl]-1,2,4-triazole has a molecular weight of 197.21 g/mol, XLogP of 1.27, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopropyl-3-[(S)-fluoro(oxetan-3-yl)methyl]-1,2,4-triazole is sourced from PubChem (CID 175875246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).