4-[(2S)-2-amino-2-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]phenol

C13H18N4O2 — CID 104905990

IUPAC4-[(2S)-2-amino-2-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]phenol
SMILESCOCCn1cnnc1[C@@H](N)Cc1ccc(O)cc1
InChIInChI=1S/C13H18N4O2/c1-19-7-6-17-9-15-16-13(17)12(14)8-10-2-4-11(18)5-3-10/h2-5,9,12,18H,6-8,14H2,1H3/t12-/m0/s1
InChIKeyQXZYBJMHFFIAAG-LBPRGKRZSA-N
MW262.31 g/mol
LogP0.87
Rot. Bonds6

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

4-[(2S)-2-amino-2-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]phenol (PubChem CID 104905990) has the molecular formula C13H18N4O2 and a molecular weight of 262.31 g/mol. Its IUPAC name is 4-[(2S)-2-amino-2-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]phenol.

Molecular Properties

Compound Name4-[(2S)-2-amino-2-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]phenol
PubChem CID104905990
Molecular FormulaC13H18N4O2
Molecular Weight262.31 g/mol
Exact Mass262.14
IUPAC Name4-[(2S)-2-amino-2-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]phenol
SMILESCOCCn1cnnc1[C@@H](N)Cc1ccc(O)cc1
InChIInChI=1S/C13H18N4O2/c1-19-7-6-17-9-15-16-13(17)12(14)8-10-2-4-11(18)5-3-10/h2-5,9,12,18H,6-8,14H2,1H3/t12-/m0/s1
InChIKeyQXZYBJMHFFIAAG-LBPRGKRZSA-N
XLogP0.87
TPSA86.19 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 50.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 4-[(2S)-2-amino-2-[4-(2-methoxyethyl)-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
3-(4-hydroxyphenyl)-N-[(1S)-1-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]propanamide
CID 125177563
(1R)-2-(1H-indol-3-yl)-1-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethanamine
CID 104911687
4-[(2R)-2-amino-2-(4-phenyl-1,2,4-triazol-3-yl)ethyl]phenol
CID 104905997
4-(2-methoxyethyl)-3-pentan-2-yl-1,2,4-triazole
CID 115393656
4-[2-amino-2-(4-methyl-1,2,4-triazol-3-yl)ethyl]benzene-1,2-diol
CID 55108772
4-[(2S)-2-amino-2-(5-methyl-4-propyl-1,2,4-triazol-3-yl)ethyl]phenol
CID 104905977
N-[1-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]-5-(methylsulfanylmethyl)furan-2-carboxamide
CID 118780951
3-[(4-fluorophenyl)methyl]-4-(2-methoxyethyl)-1,2,4-triazole
CID 113300977
4-[2-amino-2-(3-methylimidazol-4-yl)ethyl]phenol
CID 82895858
2-chloro-4-fluoro-N-[1-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]benzamide
CID 91770169

Frequently Asked Questions

What is the IUPAC name of 4-[(2S)-2-amino-2-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]phenol?
The IUPAC name of 4-[(2S)-2-amino-2-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]phenol (CID 104905990) is 4-[(2S)-2-amino-2-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]phenol.
What is the SMILES notation for 4-[(2S)-2-amino-2-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]phenol?
The canonical SMILES for 4-[(2S)-2-amino-2-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]phenol is COCCn1cnnc1[C@@H](N)Cc1ccc(O)cc1.
What is the InChIKey of 4-[(2S)-2-amino-2-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]phenol?
The InChIKey is QXZYBJMHFFIAAG-LBPRGKRZSA-N. The full InChI is InChI=1S/C13H18N4O2/c1-19-7-6-17-9-15-16-13(17)12(14)8-10-2-4-11(18)5-3-10/h2-5,9,12,18H,6-8,14H2,1H3/t12-/m0/s1.
What are the key properties of 4-[(2S)-2-amino-2-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]phenol?
4-[(2S)-2-amino-2-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]phenol has a molecular weight of 262.31 g/mol, XLogP of 0.87, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2S)-2-amino-2-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]phenol is sourced from PubChem (CID 104905990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).