3-[[1-(2-hydroxyethyl)triazol-4-yl]methylamino]-2,6-dimethylphenol

C13H18N4O2 — CID 66268480

IUPAC3-[[1-(2-hydroxyethyl)triazol-4-yl]methylamino]-2,6-dimethylphenol
SMILESCc1ccc(NCc2cn(CCO)nn2)c(C)c1O
InChIInChI=1S/C13H18N4O2/c1-9-3-4-12(10(2)13(9)19)14-7-11-8-17(5-6-18)16-15-11/h3-4,8,14,18-19H,5-7H2,1-2H3
InChIKeyFTZCIHGMSVEWQD-UHFFFAOYSA-N
MW262.31 g/mol
LogP1.20
Rot. Bonds5

About 3-[[1-(2-hydroxyethyl)triazol-4-yl]methylamino]-2,6-dimethylphenol

3-[[1-(2-hydroxyethyl)triazol-4-yl]methylamino]-2,6-dimethylphenol (PubChem CID 66268480) has the molecular formula C13H18N4O2 and a molecular weight of 262.31 g/mol. Its IUPAC name is 3-[[1-(2-hydroxyethyl)triazol-4-yl]methylamino]-2,6-dimethylphenol.

Molecular Properties

Compound Name3-[[1-(2-hydroxyethyl)triazol-4-yl]methylamino]-2,6-dimethylphenol
PubChem CID66268480
Molecular FormulaC13H18N4O2
Molecular Weight262.31 g/mol
Exact Mass262.14
IUPAC Name3-[[1-(2-hydroxyethyl)triazol-4-yl]methylamino]-2,6-dimethylphenol
SMILESCc1ccc(NCc2cn(CCO)nn2)c(C)c1O
InChIInChI=1S/C13H18N4O2/c1-9-3-4-12(10(2)13(9)19)14-7-11-8-17(5-6-18)16-15-11/h3-4,8,14,18-19H,5-7H2,1-2H3
InChIKeyFTZCIHGMSVEWQD-UHFFFAOYSA-N
XLogP1.20
TPSA83.20 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 51.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

5-[[1-(2-hydroxyethyl)triazol-4-yl]methylamino]-2-methylphenol
CID 107701075
3-[[1-(2-hydroxyethyl)triazol-4-yl]methylamino]-2-methylbenzenesulfonamide
CID 66270952
3-[4-[(3-bromo-2-methylanilino)methyl]triazol-1-yl]propan-1-ol
CID 107629688
2-[4-[(3-methylanilino)methyl]triazol-1-yl]ethanol
CID 66270531
2-[4-[(2-methoxy-5-methylanilino)methyl]triazol-1-yl]ethanol
CID 66269585
3-[[1-(3-hydroxypropyl)triazol-4-yl]methylamino]-2-methylbenzamide
CID 66269308
2-[4-[(4-methyl-2-nitroanilino)methyl]triazol-1-yl]ethanol
CID 66270561
4-[[1-(3-hydroxypropyl)triazol-4-yl]methylamino]-3-methylbenzamide
CID 66269874
2-[4-[(4-fluoroanilino)methyl]triazol-1-yl]ethanol
CID 66268072
2-[4-[(2,3,4,5,6-pentafluoroanilino)methyl]triazol-1-yl]ethanol
CID 115564130
3-[4-[(2-fluoro-5-methylanilino)methyl]triazol-1-yl]propan-1-ol
CID 66270055
2-[4-[(2-propoxyanilino)methyl]triazol-1-yl]ethanol
CID 66269794

Frequently Asked Questions

What is the IUPAC name of 3-[[1-(2-hydroxyethyl)triazol-4-yl]methylamino]-2,6-dimethylphenol?
The IUPAC name of 3-[[1-(2-hydroxyethyl)triazol-4-yl]methylamino]-2,6-dimethylphenol (CID 66268480) is 3-[[1-(2-hydroxyethyl)triazol-4-yl]methylamino]-2,6-dimethylphenol.
What is the SMILES notation for 3-[[1-(2-hydroxyethyl)triazol-4-yl]methylamino]-2,6-dimethylphenol?
The canonical SMILES for 3-[[1-(2-hydroxyethyl)triazol-4-yl]methylamino]-2,6-dimethylphenol is Cc1ccc(NCc2cn(CCO)nn2)c(C)c1O.
What is the InChIKey of 3-[[1-(2-hydroxyethyl)triazol-4-yl]methylamino]-2,6-dimethylphenol?
The InChIKey is FTZCIHGMSVEWQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O2/c1-9-3-4-12(10(2)13(9)19)14-7-11-8-17(5-6-18)16-15-11/h3-4,8,14,18-19H,5-7H2,1-2H3.
What are the key properties of 3-[[1-(2-hydroxyethyl)triazol-4-yl]methylamino]-2,6-dimethylphenol?
3-[[1-(2-hydroxyethyl)triazol-4-yl]methylamino]-2,6-dimethylphenol has a molecular weight of 262.31 g/mol, XLogP of 1.20, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[1-(2-hydroxyethyl)triazol-4-yl]methylamino]-2,6-dimethylphenol is sourced from PubChem (CID 66268480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).