4-[(1S,2S)-2-[(4-fluorophenyl)methyl]cyclopentyl]-1,2,4-triazole

C14H16FN3 — CID 50976224

IUPAC4-[(1S,2S)-2-[(4-fluorophenyl)methyl]cyclopentyl]-1,2,4-triazole
SMILESFc1ccc(C[C@@H]2CCC[C@@H]2n2cnnc2)cc1
InChIInChI=1S/C14H16FN3/c15-13-6-4-11(5-7-13)8-12-2-1-3-14(12)18-9-16-17-10-18/h4-7,9-10,12,14H,1-3,8H2/t12-,14-/m0/s1
InChIKeyBQMUZVMDDRLZTB-JSGCOSHPSA-N
MW245.30 g/mol
LogP3.00
Rot. Bonds3

About 4-[(1S,2S)-2-[(4-fluorophenyl)methyl]cyclopentyl]-1,2,4-triazole

4-[(1S,2S)-2-[(4-fluorophenyl)methyl]cyclopentyl]-1,2,4-triazole (PubChem CID 50976224) has the molecular formula C14H16FN3 and a molecular weight of 245.30 g/mol. Its IUPAC name is 4-[(1S,2S)-2-[(4-fluorophenyl)methyl]cyclopentyl]-1,2,4-triazole.

Molecular Properties

Compound Name4-[(1S,2S)-2-[(4-fluorophenyl)methyl]cyclopentyl]-1,2,4-triazole
PubChem CID50976224
Molecular FormulaC14H16FN3
Molecular Weight245.30 g/mol
Exact Mass245.13
IUPAC Name4-[(1S,2S)-2-[(4-fluorophenyl)methyl]cyclopentyl]-1,2,4-triazole
SMILESFc1ccc(C[C@@H]2CCC[C@@H]2n2cnnc2)cc1
InChIInChI=1S/C14H16FN3/c15-13-6-4-11(5-7-13)8-12-2-1-3-14(12)18-9-16-17-10-18/h4-7,9-10,12,14H,1-3,8H2/t12-,14-/m0/s1
InChIKeyBQMUZVMDDRLZTB-JSGCOSHPSA-N
XLogP3.00
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.30
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[(1S,2S)-2-[(4-fluorophenyl)methyl]cyclopentyl]-1,2,4-triazole?
The IUPAC name of 4-[(1S,2S)-2-[(4-fluorophenyl)methyl]cyclopentyl]-1,2,4-triazole (CID 50976224) is 4-[(1S,2S)-2-[(4-fluorophenyl)methyl]cyclopentyl]-1,2,4-triazole.
What is the SMILES notation for 4-[(1S,2S)-2-[(4-fluorophenyl)methyl]cyclopentyl]-1,2,4-triazole?
The canonical SMILES for 4-[(1S,2S)-2-[(4-fluorophenyl)methyl]cyclopentyl]-1,2,4-triazole is Fc1ccc(C[C@@H]2CCC[C@@H]2n2cnnc2)cc1.
What is the InChIKey of 4-[(1S,2S)-2-[(4-fluorophenyl)methyl]cyclopentyl]-1,2,4-triazole?
The InChIKey is BQMUZVMDDRLZTB-JSGCOSHPSA-N. The full InChI is InChI=1S/C14H16FN3/c15-13-6-4-11(5-7-13)8-12-2-1-3-14(12)18-9-16-17-10-18/h4-7,9-10,12,14H,1-3,8H2/t12-,14-/m0/s1.
What are the key properties of 4-[(1S,2S)-2-[(4-fluorophenyl)methyl]cyclopentyl]-1,2,4-triazole?
4-[(1S,2S)-2-[(4-fluorophenyl)methyl]cyclopentyl]-1,2,4-triazole has a molecular weight of 245.30 g/mol, XLogP of 3.00, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1S,2S)-2-[(4-fluorophenyl)methyl]cyclopentyl]-1,2,4-triazole is sourced from PubChem (CID 50976224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).