(1R,2R,4S)-2-amino-4-[2-(2-fluorophenyl)-5-[(2-methoxyphenyl)methyl]-1,2,4-triazol-3-yl]cyclopentan-1-ol;hydrochloride

C21H24ClFN4O2 — CID 155938399

About (1R,2R,4S)-2-amino-4-[2-(2-fluorophenyl)-5-[(2-methoxyphenyl)methyl]-1,2,4-triazol-3-yl]cyclopentan-1-ol;hydrochloride

(1R,2R,4S)-2-amino-4-[2-(2-fluorophenyl)-5-[(2-methoxyphenyl)methyl]-1,2,4-triazol-3-yl]cyclopentan-1-ol;hydrochloride (PubChem CID 155938399) has the molecular formula C21H24ClFN4O2 and a molecular weight of 418.90 g/mol. Its IUPAC name is (1R,2R,4S)-2-amino-4-[2-(2-fluorophenyl)-5-[(2-methoxyphenyl)methyl]-1,2,4-triazol-3-yl]cyclopentan-1-ol;hydrochloride.

Molecular Properties

• Compound Name: (1R,2R,4S)-2-amino-4-[2-(2-fluorophenyl)-5-[(2-methoxyphenyl)methyl]-1,2,4-triazol-3-yl]cyclopentan-1-ol;hydrochloride
• PubChem CID: 155938399
• Molecular Formula: C21H24ClFN4O2
• Molecular Weight: 418.90 g/mol
• Exact Mass: 418.16
• IUPAC Name: (1R,2R,4S)-2-amino-4-[2-(2-fluorophenyl)-5-[(2-methoxyphenyl)methyl]-1,2,4-triazol-3-yl]cyclopentan-1-ol;hydrochloride
• SMILES: COc1ccccc1Cc1nc([C@H]2C[C@@H](N)[C@H](O)C2)n(-c2ccccc2F)n1.Cl
• InChI: InChI=1S/C21H23FN4O2.ClH/c1-28-19-9-5-2-6-13(19)12-20-24-21(14-10-16(23)18(27)11-14)26(25-20)17-8-4-3-7-15(17)22;/h2-9,14,16,18,27H,10-12,23H2,1H3;1H/t14-,16+,18+;/m0./s1
• InChIKey: BNOYONFCRMITRP-QUQDROCISA-N
• XLogP: 2.99
• TPSA: 86.19 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	418.90
LogP ≤ 5	2.99
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of (1R,2R,4S)-2-amino-4-[2-(2-fluorophenyl)-5-[(2-methoxyphenyl)methyl]-1,2,4-triazol-3-yl]cyclopentan-1-ol;hydrochloride?

The IUPAC name of (1R,2R,4S)-2-amino-4-[2-(2-fluorophenyl)-5-[(2-methoxyphenyl)methyl]-1,2,4-triazol-3-yl]cyclopentan-1-ol;hydrochloride (CID 155938399) is (1R,2R,4S)-2-amino-4-[2-(2-fluorophenyl)-5-[(2-methoxyphenyl)methyl]-1,2,4-triazol-3-yl]cyclopentan-1-ol;hydrochloride.

What is the SMILES notation for (1R,2R,4S)-2-amino-4-[2-(2-fluorophenyl)-5-[(2-methoxyphenyl)methyl]-1,2,4-triazol-3-yl]cyclopentan-1-ol;hydrochloride?

The canonical SMILES for (1R,2R,4S)-2-amino-4-[2-(2-fluorophenyl)-5-[(2-methoxyphenyl)methyl]-1,2,4-triazol-3-yl]cyclopentan-1-ol;hydrochloride is COc1ccccc1Cc1nc([C@H]2C[C@@H](N)[C@H](O)C2)n(-c2ccccc2F)n1.Cl.

What is the InChIKey of (1R,2R,4S)-2-amino-4-[2-(2-fluorophenyl)-5-[(2-methoxyphenyl)methyl]-1,2,4-triazol-3-yl]cyclopentan-1-ol;hydrochloride?

The InChIKey is BNOYONFCRMITRP-QUQDROCISA-N. The full InChI is InChI=1S/C21H23FN4O2.ClH/c1-28-19-9-5-2-6-13(19)12-20-24-21(14-10-16(23)18(27)11-14)26(25-20)17-8-4-3-7-15(17)22;/h2-9,14,16,18,27H,10-12,23H2,1H3;1H/t14-,16+,18+;/m0./s1.

What are the key properties of (1R,2R,4S)-2-amino-4-[2-(2-fluorophenyl)-5-[(2-methoxyphenyl)methyl]-1,2,4-triazol-3-yl]cyclopentan-1-ol;hydrochloride?

(1R,2R,4S)-2-amino-4-[2-(2-fluorophenyl)-5-[(2-methoxyphenyl)methyl]-1,2,4-triazol-3-yl]cyclopentan-1-ol;hydrochloride has a molecular weight of 418.90 g/mol, XLogP of 2.99, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for (1R,2R,4S)-2-amino-4-[2-(2-fluorophenyl)-5-[(2-methoxyphenyl)methyl]-1,2,4-triazol-3-yl]cyclopentan-1-ol;hydrochloride is sourced from PubChem (CID 155938399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).