3-[4-[1-(methylamino)ethyl]triazol-1-yl]phenol

C11H14N4O — CID 117167611

IUPAC3-[4-[1-(methylamino)ethyl]triazol-1-yl]phenol
SMILESCNC(C)c1cn(-c2cccc(O)c2)nn1
InChIInChI=1S/C11H14N4O/c1-8(12-2)11-7-15(14-13-11)9-4-3-5-10(16)6-9/h3-8,12,16H,1-2H3
InChIKeyOLYCMZAFYQYYTN-UHFFFAOYSA-N
MW218.26 g/mol
LogP1.25
Rot. Bonds3

About 3-[4-[1-(methylamino)ethyl]triazol-1-yl]phenol

3-[4-[1-(methylamino)ethyl]triazol-1-yl]phenol (PubChem CID 117167611) has the molecular formula C11H14N4O and a molecular weight of 218.26 g/mol. Its IUPAC name is 3-[4-[1-(methylamino)ethyl]triazol-1-yl]phenol.

Molecular Properties

Compound Name3-[4-[1-(methylamino)ethyl]triazol-1-yl]phenol
PubChem CID117167611
Molecular FormulaC11H14N4O
Molecular Weight218.26 g/mol
Exact Mass218.12
IUPAC Name3-[4-[1-(methylamino)ethyl]triazol-1-yl]phenol
SMILESCNC(C)c1cn(-c2cccc(O)c2)nn1
InChIInChI=1S/C11H14N4O/c1-8(12-2)11-7-15(14-13-11)9-4-3-5-10(16)6-9/h3-8,12,16H,1-2H3
InChIKeyOLYCMZAFYQYYTN-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

(2S)-N-hydroxy-2-[[1-(3-hydroxyphenyl)triazol-4-yl]methylcarbamoylamino]-4-methylpentanamide
CID 155522900
4-(4-Pentyltriazol-1-yl)phenol
CID 122501204
1-(4-Hydroxyphenyl)-4-octyl-1h-1,2,3-triazole
CID 76320763
3-(1H-pyrazol-1-yl)phenol
CID 54592959
Phenol, 3-(1H-1,2,3-triazol-1-yl)-
CID 70581149
3-[4-[[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienoxy]methyl]triazol-1-yl]phenol
CID 53318286
3-[4-[[(2E)-3,7-dimethylocta-2,6-dienoxy]methyl]triazol-1-yl]phenol
CID 53320948
[1-(3-methoxyphenyl)-1H-1,2,3-triazol-4-yl]methanol
CID 53474094
4-[4-(1-Hydroxyethyl)triazol-1-yl]phenol
CID 117167691
2-[4-(Hydroxymethyl)-1h-1,2,3-triazol-1-yl]benzene-1,4-diol
CID 146036110
4-(4-Propyltriazol-1-yl)phenol
CID 162651336
4-(4-Propan-2-yltriazol-1-yl)phenol
CID 162661917

Frequently Asked Questions

What is the IUPAC name of 3-[4-[1-(methylamino)ethyl]triazol-1-yl]phenol?
The IUPAC name of 3-[4-[1-(methylamino)ethyl]triazol-1-yl]phenol (CID 117167611) is 3-[4-[1-(methylamino)ethyl]triazol-1-yl]phenol.
What is the SMILES notation for 3-[4-[1-(methylamino)ethyl]triazol-1-yl]phenol?
The canonical SMILES for 3-[4-[1-(methylamino)ethyl]triazol-1-yl]phenol is CNC(C)c1cn(-c2cccc(O)c2)nn1.
What is the InChIKey of 3-[4-[1-(methylamino)ethyl]triazol-1-yl]phenol?
The InChIKey is OLYCMZAFYQYYTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O/c1-8(12-2)11-7-15(14-13-11)9-4-3-5-10(16)6-9/h3-8,12,16H,1-2H3.
What are the key properties of 3-[4-[1-(methylamino)ethyl]triazol-1-yl]phenol?
3-[4-[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 3-[4-[1-(methylamino)ethyl]triazol-1-yl]phenol is sourced from PubChem (CID 117167611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).