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

C11H14N4O — CID 94552493

IUPAC4-[(2R)-2-amino-2-(4-methyl-1,2,4-triazol-3-yl)ethyl]phenol
SMILESCn1cnnc1[C@H](N)Cc1ccc(O)cc1
InChIInChI=1S/C11H14N4O/c1-15-7-13-14-11(15)10(12)6-8-2-4-9(16)5-3-8/h2-5,7,10,16H,6,12H2,1H3/t10-/m1/s1
InChIKeyDAFJTAWLLRUGJV-SNVBAGLBSA-N
MW218.26 g/mol
LogP0.76
Rot. Bonds3

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

4-[(2R)-2-amino-2-(4-methyl-1,2,4-triazol-3-yl)ethyl]phenol (PubChem CID 94552493) has the molecular formula C11H14N4O and a molecular weight of 218.26 g/mol. Its IUPAC name is 4-[(2R)-2-amino-2-(4-methyl-1,2,4-triazol-3-yl)ethyl]phenol.

Molecular Properties

Compound Name4-[(2R)-2-amino-2-(4-methyl-1,2,4-triazol-3-yl)ethyl]phenol
PubChem CID94552493
Molecular FormulaC11H14N4O
Molecular Weight218.26 g/mol
Exact Mass218.12
IUPAC Name4-[(2R)-2-amino-2-(4-methyl-1,2,4-triazol-3-yl)ethyl]phenol
SMILESCn1cnnc1[C@H](N)Cc1ccc(O)cc1
InChIInChI=1S/C11H14N4O/c1-15-7-13-14-11(15)10(12)6-8-2-4-9(16)5-3-8/h2-5,7,10,16H,6,12H2,1H3/t10-/m1/s1
InChIKeyDAFJTAWLLRUGJV-SNVBAGLBSA-N
XLogP0.76
TPSA76.96 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.26
LogP ≤ 50.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-[2-amino-2-(4-methyl-1,2,4-triazol-3-yl)ethyl]phenol
CID 62694256
4-[2-amino-2-(4-methyl-1,2,4-triazol-3-yl)ethyl]benzene-1,2-diol
CID 55108772
4-[(2S)-2-amino-2-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]phenol
CID 104905990
4-[(2R)-2-amino-2-(4-phenyl-1,2,4-triazol-3-yl)ethyl]phenol
CID 104905997
(2R)-2-amino-2-(4-methyl-1,2,4-triazol-3-yl)ethanol
CID 94552496
4-[2-amino-2-(3-methylimidazol-4-yl)ethyl]phenol
CID 82895858
4-[(2S)-2-amino-2-(5-methyl-4-propyl-1,2,4-triazol-3-yl)ethyl]phenol
CID 104905977
4-[2-amino-2-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]phenol
CID 43142794
2-amino-1-(4-methyl-1,2,4-triazol-3-yl)ethanol
CID 66166308
4-[(2S)-2-aminopropyl]phenol;methanol
CID 142971966
4-[(2S)-2-aminopropyl]phenol;hydrochloride
CID 90673532
4-(2-aminopropyl)phenol;dihydrobromide
CID 23615767

Frequently Asked Questions

What is the IUPAC name of 4-[(2R)-2-amino-2-(4-methyl-1,2,4-triazol-3-yl)ethyl]phenol?
The IUPAC name of 4-[(2R)-2-amino-2-(4-methyl-1,2,4-triazol-3-yl)ethyl]phenol (CID 94552493) is 4-[(2R)-2-amino-2-(4-methyl-1,2,4-triazol-3-yl)ethyl]phenol.
What is the SMILES notation for 4-[(2R)-2-amino-2-(4-methyl-1,2,4-triazol-3-yl)ethyl]phenol?
The canonical SMILES for 4-[(2R)-2-amino-2-(4-methyl-1,2,4-triazol-3-yl)ethyl]phenol is Cn1cnnc1[C@H](N)Cc1ccc(O)cc1.
What is the InChIKey of 4-[(2R)-2-amino-2-(4-methyl-1,2,4-triazol-3-yl)ethyl]phenol?
The InChIKey is DAFJTAWLLRUGJV-SNVBAGLBSA-N. The full InChI is InChI=1S/C11H14N4O/c1-15-7-13-14-11(15)10(12)6-8-2-4-9(16)5-3-8/h2-5,7,10,16H,6,12H2,1H3/t10-/m1/s1.
What are the key properties of 4-[(2R)-2-amino-2-(4-methyl-1,2,4-triazol-3-yl)ethyl]phenol?
4-[(2R)-2-amino-2-(4-methyl-1,2,4-triazol-3-yl)ethyl]phenol has a molecular weight of 218.26 g/mol, XLogP of 0.76, 3 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-methyl-1,2,4-triazol-3-yl)ethyl]phenol is sourced from PubChem (CID 94552493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).