2-[5-[(1R)-1-amino-2-phenylethyl]-1H-1,2,4-triazol-3-yl]phenol

C16H16N4O — CID 136902728

IUPAC2-[5-[(1R)-1-amino-2-phenylethyl]-1H-1,2,4-triazol-3-yl]phenol
SMILESN[C@H](Cc1ccccc1)c1nc(-c2ccccc2O)n[nH]1
InChIInChI=1S/C16H16N4O/c17-13(10-11-6-2-1-3-7-11)16-18-15(19-20-16)12-8-4-5-9-14(12)21/h1-9,13,21H,10,17H2,(H,18,19,20)/t13-/m1/s1
InChIKeyOSNRZOBTEIOBFB-CYBMUJFWSA-N
MW280.33 g/mol
LogP2.42
Rot. Bonds4

About 2-[5-[(1R)-1-amino-2-phenylethyl]-1H-1,2,4-triazol-3-yl]phenol

2-[5-[(1R)-1-amino-2-phenylethyl]-1H-1,2,4-triazol-3-yl]phenol (PubChem CID 136902728) has the molecular formula C16H16N4O and a molecular weight of 280.33 g/mol. Its IUPAC name is 2-[5-[(1R)-1-amino-2-phenylethyl]-1H-1,2,4-triazol-3-yl]phenol.

Molecular Properties

Compound Name2-[5-[(1R)-1-amino-2-phenylethyl]-1H-1,2,4-triazol-3-yl]phenol
PubChem CID136902728
Molecular FormulaC16H16N4O
Molecular Weight280.33 g/mol
Exact Mass280.13
IUPAC Name2-[5-[(1R)-1-amino-2-phenylethyl]-1H-1,2,4-triazol-3-yl]phenol
SMILESN[C@H](Cc1ccccc1)c1nc(-c2ccccc2O)n[nH]1
InChIInChI=1S/C16H16N4O/c17-13(10-11-6-2-1-3-7-11)16-18-15(19-20-16)12-8-4-5-9-14(12)21/h1-9,13,21H,10,17H2,(H,18,19,20)/t13-/m1/s1
InChIKeyOSNRZOBTEIOBFB-CYBMUJFWSA-N
XLogP2.42
TPSA87.82 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 52.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-[2-amino-2-(3-phenyl-1H-1,2,4-triazol-5-yl)ethyl]phenol
CID 61352789
3-[5-[(1R)-1-amino-2-phenylethyl]-1H-1,2,4-triazol-3-yl]phenol
CID 97288602
2-[5-[(S)-amino-(4-chlorophenyl)methyl]-1H-1,2,4-triazol-3-yl]phenol
CID 136902662
(R)-[3-(2-fluorophenyl)-1H-1,2,4-triazol-5-yl]-phenylmethanamine
CID 97287235
(1R)-1-[3-(4-fluorophenyl)-1H-1,2,4-triazol-5-yl]-3-phenylpropan-1-amine;hydrochloride
CID 67235938
(1R)-3-methyl-1-(3-phenyl-1H-1,2,4-triazol-5-yl)butan-1-amine
CID 104904387
(R)-(4-fluorophenyl)-[3-(2-fluorophenyl)-1H-1,2,4-triazol-5-yl]methanamine
CID 97287100
4-[5-[(1R)-1-amino-3-phenylpropyl]-1H-1,2,4-triazol-3-yl]benzonitrile
CID 118879324
1-(5-methyl-4-propan-2-yl-1H-imidazol-2-yl)-2-phenylethanamine
CID 114998039
(1S)-1-[5-(methoxymethyl)-1H-1,2,4-triazol-3-yl]-2-phenylethanamine
CID 97288632
[2-phenyl-1-(3-pyridin-2-yl-1H-1,2,4-triazol-5-yl)ethyl]carbamic acid
CID 66706223
4-[5-[(1R)-1-amino-3-phenylpropyl]-1H-1,2,4-triazol-3-yl]-2-chlorobenzonitrile
CID 118879278

Frequently Asked Questions

What is the IUPAC name of 2-[5-[(1R)-1-amino-2-phenylethyl]-1H-1,2,4-triazol-3-yl]phenol?
The IUPAC name of 2-[5-[(1R)-1-amino-2-phenylethyl]-1H-1,2,4-triazol-3-yl]phenol (CID 136902728) is 2-[5-[(1R)-1-amino-2-phenylethyl]-1H-1,2,4-triazol-3-yl]phenol.
What is the SMILES notation for 2-[5-[(1R)-1-amino-2-phenylethyl]-1H-1,2,4-triazol-3-yl]phenol?
The canonical SMILES for 2-[5-[(1R)-1-amino-2-phenylethyl]-1H-1,2,4-triazol-3-yl]phenol is N[C@H](Cc1ccccc1)c1nc(-c2ccccc2O)n[nH]1.
What is the InChIKey of 2-[5-[(1R)-1-amino-2-phenylethyl]-1H-1,2,4-triazol-3-yl]phenol?
The InChIKey is OSNRZOBTEIOBFB-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H16N4O/c17-13(10-11-6-2-1-3-7-11)16-18-15(19-20-16)12-8-4-5-9-14(12)21/h1-9,13,21H,10,17H2,(H,18,19,20)/t13-/m1/s1.
What are the key properties of 2-[5-[(1R)-1-amino-2-phenylethyl]-1H-1,2,4-triazol-3-yl]phenol?
2-[5-[(1R)-1-amino-2-phenylethyl]-1H-1,2,4-triazol-3-yl]phenol has a molecular weight of 280.33 g/mol, XLogP of 2.42, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[(1R)-1-amino-2-phenylethyl]-1H-1,2,4-triazol-3-yl]phenol is sourced from PubChem (CID 136902728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).