2-amino-1-(2-methyl-5-phenyl-1,2,4-triazol-3-yl)ethanol

C11H14N4O — CID 66167131

IUPAC2-amino-1-(2-methyl-5-phenyl-1,2,4-triazol-3-yl)ethanol
SMILESCn1nc(-c2ccccc2)nc1C(O)CN
InChIInChI=1S/C11H14N4O/c1-15-11(9(16)7-12)13-10(14-15)8-5-3-2-4-6-8/h2-6,9,16H,7,12H2,1H3
InChIKeyWYZJVWRVWGCILA-UHFFFAOYSA-N
MW218.26 g/mol
LogP0.47
Rot. Bonds3

About 2-amino-1-(2-methyl-5-phenyl-1,2,4-triazol-3-yl)ethanol

2-amino-1-(2-methyl-5-phenyl-1,2,4-triazol-3-yl)ethanol (PubChem CID 66167131) has the molecular formula C11H14N4O and a molecular weight of 218.26 g/mol. Its IUPAC name is 2-amino-1-(2-methyl-5-phenyl-1,2,4-triazol-3-yl)ethanol.

Molecular Properties

Compound Name2-amino-1-(2-methyl-5-phenyl-1,2,4-triazol-3-yl)ethanol
PubChem CID66167131
Molecular FormulaC11H14N4O
Molecular Weight218.26 g/mol
Exact Mass218.12
IUPAC Name2-amino-1-(2-methyl-5-phenyl-1,2,4-triazol-3-yl)ethanol
SMILESCn1nc(-c2ccccc2)nc1C(O)CN
InChIInChI=1S/C11H14N4O/c1-15-11(9(16)7-12)13-10(14-15)8-5-3-2-4-6-8/h2-6,9,16H,7,12H2,1H3
InChIKeyWYZJVWRVWGCILA-UHFFFAOYSA-N
XLogP0.47
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 ≤ 50.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2-methyl-5-phenyl-1,2,4-triazol-3-yl)propan-1-amine
CID 62723069
2-(2-methyl-5-phenyl-1,2,4-triazol-3-yl)butan-1-amine
CID 65226936
2-methyl-1-(2-methyl-5-phenyl-1,2,4-triazol-3-yl)propan-1-amine
CID 62721278
(2-methyl-5-phenyl-1,2,4-triazol-3-yl)methanamine
CID 62732620
cyclohexyl-(2-methyl-5-phenyl-1,2,4-triazol-3-yl)methanamine
CID 62723083
N-ethyl-2-(2-methyl-5-phenyl-1,2,4-triazol-3-yl)propan-1-amine
CID 55123206
[3-methyl-4-[(2-methylpropan-2-yl)oxymethyl]phenyl]-(2-methyl-5-phenyl-1,2,4-triazol-3-yl)methanol
CID 143240884
ethyl 2-methyl-5-phenyl-1,2,4-triazole-3-carboxylate
CID 63355763
2-methyl-1-(2-methyl-5-phenyl-1,2,4-triazol-3-yl)propan-2-amine
CID 64672697
2-amino-1-phenylethanol;ethane
CID 91425169
4-(2-methyl-5-phenyl-1,2,4-triazol-3-yl)butanoic acid
CID 62734691
6-(2-methyl-5-phenyl-1,2,4-triazol-3-yl)pyridin-3-amine
CID 114287525

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(2-methyl-5-phenyl-1,2,4-triazol-3-yl)ethanol?
The IUPAC name of 2-amino-1-(2-methyl-5-phenyl-1,2,4-triazol-3-yl)ethanol (CID 66167131) is 2-amino-1-(2-methyl-5-phenyl-1,2,4-triazol-3-yl)ethanol.
What is the SMILES notation for 2-amino-1-(2-methyl-5-phenyl-1,2,4-triazol-3-yl)ethanol?
The canonical SMILES for 2-amino-1-(2-methyl-5-phenyl-1,2,4-triazol-3-yl)ethanol is Cn1nc(-c2ccccc2)nc1C(O)CN.
What is the InChIKey of 2-amino-1-(2-methyl-5-phenyl-1,2,4-triazol-3-yl)ethanol?
The InChIKey is WYZJVWRVWGCILA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O/c1-15-11(9(16)7-12)13-10(14-15)8-5-3-2-4-6-8/h2-6,9,16H,7,12H2,1H3.
What are the key properties of 2-amino-1-(2-methyl-5-phenyl-1,2,4-triazol-3-yl)ethanol?
2-amino-1-(2-methyl-5-phenyl-1,2,4-triazol-3-yl)ethanol has a molecular weight of 218.26 g/mol, XLogP of 0.47, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(2-methyl-5-phenyl-1,2,4-triazol-3-yl)ethanol is sourced from PubChem (CID 66167131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).