4-[(2R)-2-amino-2-(4-phenyl-1,2,4-triazol-3-yl)ethyl]phenol

C16H16N4O — CID 104905997

IUPAC4-[(2R)-2-amino-2-(4-phenyl-1,2,4-triazol-3-yl)ethyl]phenol
SMILESN[C@H](Cc1ccc(O)cc1)c1nncn1-c1ccccc1
InChIInChI=1S/C16H16N4O/c17-15(10-12-6-8-14(21)9-7-12)16-19-18-11-20(16)13-4-2-1-3-5-13/h1-9,11,15,21H,10,17H2/t15-/m1/s1
InChIKeyMEKJRUFGYGCYGO-OAHLLOKOSA-N
MW280.33 g/mol
LogP2.22
Rot. Bonds4

About 4-[(2R)-2-amino-2-(4-phenyl-1,2,4-triazol-3-yl)ethyl]phenol

4-[(2R)-2-amino-2-(4-phenyl-1,2,4-triazol-3-yl)ethyl]phenol (PubChem CID 104905997) has the molecular formula C16H16N4O and a molecular weight of 280.33 g/mol. Its IUPAC name is 4-[(2R)-2-amino-2-(4-phenyl-1,2,4-triazol-3-yl)ethyl]phenol.

Molecular Properties

Compound Name4-[(2R)-2-amino-2-(4-phenyl-1,2,4-triazol-3-yl)ethyl]phenol
PubChem CID104905997
Molecular FormulaC16H16N4O
Molecular Weight280.33 g/mol
Exact Mass280.13
IUPAC Name4-[(2R)-2-amino-2-(4-phenyl-1,2,4-triazol-3-yl)ethyl]phenol
SMILESN[C@H](Cc1ccc(O)cc1)c1nncn1-c1ccccc1
InChIInChI=1S/C16H16N4O/c17-15(10-12-6-8-14(21)9-7-12)16-19-18-11-20(16)13-4-2-1-3-5-13/h1-9,11,15,21H,10,17H2/t15-/m1/s1
InChIKeyMEKJRUFGYGCYGO-OAHLLOKOSA-N
XLogP2.22
TPSA76.96 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-[(2R)-2-amino-2-(4-phenyl-1,2,4-triazol-3-yl)ethyl]phenol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[(2R)-2-amino-2-(4-methyl-1,2,4-triazol-3-yl)ethyl]phenol
CID 94552493
4-[2-amino-2-(4-methyl-1,2,4-triazol-3-yl)ethyl]phenol
CID 62694256
(1R)-1-(4-phenyl-1,2,4-triazol-3-yl)butan-1-amine
CID 94554781
1-(4-phenyl-1,2,4-triazol-3-yl)pentan-1-amine
CID 62709915
4-[(2S)-2-amino-2-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]phenol
CID 104905990
3-heptan-4-yl-4-phenyl-1,2,4-triazole
CID 82995820
2-(3,5-difluorophenyl)-1-[4-(2-methylphenyl)-1,2,4-triazol-3-yl]ethanamine
CID 90322805
ethyl 3-methyl-2-(4-phenyl-1,2,4-triazol-3-yl)butanoate
CID 79472323
4-[2-amino-2-(4-methyl-1,2,4-triazol-3-yl)ethyl]benzene-1,2-diol
CID 55108772
4-[2-amino-2-(3-methylimidazol-4-yl)ethyl]phenol
CID 82895858
4-[2-amino-2-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]phenol
CID 43142794
4-[(2S)-2-amino-2-(5-methyl-4-propyl-1,2,4-triazol-3-yl)ethyl]phenol
CID 104905977

Frequently Asked Questions

What is the IUPAC name of 4-[(2R)-2-amino-2-(4-phenyl-1,2,4-triazol-3-yl)ethyl]phenol?
The IUPAC name of 4-[(2R)-2-amino-2-(4-phenyl-1,2,4-triazol-3-yl)ethyl]phenol (CID 104905997) is 4-[(2R)-2-amino-2-(4-phenyl-1,2,4-triazol-3-yl)ethyl]phenol.
What is the SMILES notation for 4-[(2R)-2-amino-2-(4-phenyl-1,2,4-triazol-3-yl)ethyl]phenol?
The canonical SMILES for 4-[(2R)-2-amino-2-(4-phenyl-1,2,4-triazol-3-yl)ethyl]phenol is N[C@H](Cc1ccc(O)cc1)c1nncn1-c1ccccc1.
What is the InChIKey of 4-[(2R)-2-amino-2-(4-phenyl-1,2,4-triazol-3-yl)ethyl]phenol?
The InChIKey is MEKJRUFGYGCYGO-OAHLLOKOSA-N. The full InChI is InChI=1S/C16H16N4O/c17-15(10-12-6-8-14(21)9-7-12)16-19-18-11-20(16)13-4-2-1-3-5-13/h1-9,11,15,21H,10,17H2/t15-/m1/s1.
What are the key properties of 4-[(2R)-2-amino-2-(4-phenyl-1,2,4-triazol-3-yl)ethyl]phenol?
4-[(2R)-2-amino-2-(4-phenyl-1,2,4-triazol-3-yl)ethyl]phenol has a molecular weight of 280.33 g/mol, XLogP of 2.22, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2R)-2-amino-2-(4-phenyl-1,2,4-triazol-3-yl)ethyl]phenol is sourced from PubChem (CID 104905997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).