5-[[1-(2-hydroxyethyl)triazol-4-yl]methylamino]-2-methylphenol

C12H16N4O2 — CID 107701075

IUPAC5-[[1-(2-hydroxyethyl)triazol-4-yl]methylamino]-2-methylphenol
SMILESCc1ccc(NCc2cn(CCO)nn2)cc1O
InChIInChI=1S/C12H16N4O2/c1-9-2-3-10(6-12(9)18)13-7-11-8-16(4-5-17)15-14-11/h2-3,6,8,13,17-18H,4-5,7H2,1H3
InChIKeyNXIYBPQLIYLCPO-UHFFFAOYSA-N
MW248.29 g/mol
LogP0.90
Rot. Bonds5

About 5-[[1-(2-hydroxyethyl)triazol-4-yl]methylamino]-2-methylphenol

5-[[1-(2-hydroxyethyl)triazol-4-yl]methylamino]-2-methylphenol (PubChem CID 107701075) has the molecular formula C12H16N4O2 and a molecular weight of 248.29 g/mol. Its IUPAC name is 5-[[1-(2-hydroxyethyl)triazol-4-yl]methylamino]-2-methylphenol.

Molecular Properties

Compound Name5-[[1-(2-hydroxyethyl)triazol-4-yl]methylamino]-2-methylphenol
PubChem CID107701075
Molecular FormulaC12H16N4O2
Molecular Weight248.29 g/mol
Exact Mass248.13
IUPAC Name5-[[1-(2-hydroxyethyl)triazol-4-yl]methylamino]-2-methylphenol
SMILESCc1ccc(NCc2cn(CCO)nn2)cc1O
InChIInChI=1S/C12H16N4O2/c1-9-2-3-10(6-12(9)18)13-7-11-8-16(4-5-17)15-14-11/h2-3,6,8,13,17-18H,4-5,7H2,1H3
InChIKeyNXIYBPQLIYLCPO-UHFFFAOYSA-N
XLogP0.90
TPSA83.20 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.29
LogP ≤ 50.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 5-[[1-(2-hydroxyethyl)triazol-4-yl]methylamino]-2-methylphenol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[4-[(3-methylanilino)methyl]triazol-1-yl]ethanol
CID 66270531
3-[[1-(2-hydroxyethyl)triazol-4-yl]methylamino]-2,6-dimethylphenol
CID 66268480
3-[4-[[3-(dimethylamino)-4-methylanilino]methyl]triazol-1-yl]propan-1-ol
CID 115376820
2-[4-[(4-fluoroanilino)methyl]triazol-1-yl]ethanol
CID 66268072
2-[4-[[4-[(dimethylamino)methyl]anilino]methyl]triazol-1-yl]ethanol
CID 66270190
2-[4-[(3,5-difluoroanilino)methyl]triazol-1-yl]ethanol
CID 66269403
5-[[1-(2-hydroxyethyl)triazol-4-yl]methylamino]-1,3-dihydrobenzimidazol-2-one
CID 66270727
5-[[1-(2-hydroxyethyl)triazol-4-yl]methylamino]isoindole-1,3-dione
CID 66270351
2-[4-[[4-fluoro-3-(trifluoromethyl)anilino]methyl]triazol-1-yl]ethanol
CID 66270955
4-[[1-(2-hydroxyethyl)triazol-4-yl]methylamino]benzonitrile
CID 66268640
2-fluoro-5-[[1-(2-hydroxyethyl)triazol-4-yl]methylamino]benzamide
CID 66268282
2-[4-[[4-chloro-3-(trifluoromethyl)anilino]methyl]triazol-1-yl]ethanol
CID 66269599

Frequently Asked Questions

What is the IUPAC name of 5-[[1-(2-hydroxyethyl)triazol-4-yl]methylamino]-2-methylphenol?
The IUPAC name of 5-[[1-(2-hydroxyethyl)triazol-4-yl]methylamino]-2-methylphenol (CID 107701075) is 5-[[1-(2-hydroxyethyl)triazol-4-yl]methylamino]-2-methylphenol.
What is the SMILES notation for 5-[[1-(2-hydroxyethyl)triazol-4-yl]methylamino]-2-methylphenol?
The canonical SMILES for 5-[[1-(2-hydroxyethyl)triazol-4-yl]methylamino]-2-methylphenol is Cc1ccc(NCc2cn(CCO)nn2)cc1O.
What is the InChIKey of 5-[[1-(2-hydroxyethyl)triazol-4-yl]methylamino]-2-methylphenol?
The InChIKey is NXIYBPQLIYLCPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O2/c1-9-2-3-10(6-12(9)18)13-7-11-8-16(4-5-17)15-14-11/h2-3,6,8,13,17-18H,4-5,7H2,1H3.
What are the key properties of 5-[[1-(2-hydroxyethyl)triazol-4-yl]methylamino]-2-methylphenol?
5-[[1-(2-hydroxyethyl)triazol-4-yl]methylamino]-2-methylphenol has a molecular weight of 248.29 g/mol, XLogP of 0.90, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[1-(2-hydroxyethyl)triazol-4-yl]methylamino]-2-methylphenol is sourced from PubChem (CID 107701075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).