2-[5-[1-(methylamino)ethyl]triazol-1-yl]phenol

C11H14N4O — CID 117167122

IUPAC2-[5-[1-(methylamino)ethyl]triazol-1-yl]phenol
SMILESCNC(C)c1cnnn1-c1ccccc1O
InChIInChI=1S/C11H14N4O/c1-8(12-2)10-7-13-14-15(10)9-5-3-4-6-11(9)16/h3-8,12,16H,1-2H3
InChIKeyDHMUFLWYEWDFJM-UHFFFAOYSA-N
MW218.26 g/mol
LogP1.25
Rot. Bonds3

About 2-[5-[1-(methylamino)ethyl]triazol-1-yl]phenol

2-[5-[1-(methylamino)ethyl]triazol-1-yl]phenol (PubChem CID 117167122) has the molecular formula C11H14N4O and a molecular weight of 218.26 g/mol. Its IUPAC name is 2-[5-[1-(methylamino)ethyl]triazol-1-yl]phenol.

Molecular Properties

Compound Name2-[5-[1-(methylamino)ethyl]triazol-1-yl]phenol
PubChem CID117167122
Molecular FormulaC11H14N4O
Molecular Weight218.26 g/mol
Exact Mass218.12
IUPAC Name2-[5-[1-(methylamino)ethyl]triazol-1-yl]phenol
SMILESCNC(C)c1cnnn1-c1ccccc1O
InChIInChI=1S/C11H14N4O/c1-8(12-2)10-7-13-14-15(10)9-5-3-4-6-11(9)16/h3-8,12,16H,1-2H3
InChIKeyDHMUFLWYEWDFJM-UHFFFAOYSA-N
XLogP1.25
TPSA62.97 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 ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[3-(4-chlorophenyl)triazol-4-yl]-N-methylethanamine
CID 117167372
1-[3-(3-methoxyphenyl)triazol-4-yl]-N-methylethanamine
CID 117167252
N-methyl-1-(3-methyltriazol-4-yl)ethanamine
CID 114687181
(1S)-N-methyl-1-(3-methyltriazol-4-yl)ethanamine;dihydrochloride
CID 167732679
2-[3-(2-hydroxyphenyl)triazol-4-yl]-2-methylpropanoic acid
CID 117167165
3-(2-hydroxyphenyl)triazole-4-carbonitrile
CID 84660466
5-(1-chloroethyl)-1-(2-iodophenyl)triazole
CID 130566765
3-[3-(2-hydroxyphenyl)triazol-4-yl]-2,2-dimethylpropanoic acid
CID 117167179
2,2-difluoro-N-methyl-1-(3-phenyltriazol-4-yl)ethanamine
CID 103517148
2,2,2-trifluoro-N-methyl-1-(3-phenyltriazol-4-yl)ethanamine
CID 105043304
2-[4-(methylamino)pyrazol-1-yl]phenol
CID 83877134
1-(furan-2-yl)-N-methyl-1-(3-phenyltriazol-4-yl)methanamine
CID 114687548

Frequently Asked Questions

What is the IUPAC name of 2-[5-[1-(methylamino)ethyl]triazol-1-yl]phenol?
The IUPAC name of 2-[5-[1-(methylamino)ethyl]triazol-1-yl]phenol (CID 117167122) is 2-[5-[1-(methylamino)ethyl]triazol-1-yl]phenol.
What is the SMILES notation for 2-[5-[1-(methylamino)ethyl]triazol-1-yl]phenol?
The canonical SMILES for 2-[5-[1-(methylamino)ethyl]triazol-1-yl]phenol is CNC(C)c1cnnn1-c1ccccc1O.
What is the InChIKey of 2-[5-[1-(methylamino)ethyl]triazol-1-yl]phenol?
The InChIKey is DHMUFLWYEWDFJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O/c1-8(12-2)10-7-13-14-15(10)9-5-3-4-6-11(9)16/h3-8,12,16H,1-2H3.
What are the key properties of 2-[5-[1-(methylamino)ethyl]triazol-1-yl]phenol?
2-[5-[1-(methylamino)ethyl]triazol-1-yl]phenol has a molecular weight of 218.26 g/mol, XLogP of 1.25, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[1-(methylamino)ethyl]triazol-1-yl]phenol is sourced from PubChem (CID 117167122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).