2-[4-[(2-methoxy-5-methylanilino)methyl]triazol-1-yl]ethanol

C13H18N4O2 — CID 66269585

IUPAC2-[4-[(2-methoxy-5-methylanilino)methyl]triazol-1-yl]ethanol
SMILESCOc1ccc(C)cc1NCc1cn(CCO)nn1
InChIInChI=1S/C13H18N4O2/c1-10-3-4-13(19-2)12(7-10)14-8-11-9-17(5-6-18)16-15-11/h3-4,7,9,14,18H,5-6,8H2,1-2H3
InChIKeyVVPAFGXOALGAAJ-UHFFFAOYSA-N
MW262.31 g/mol
LogP1.20
Rot. Bonds6

About 2-[4-[(2-methoxy-5-methylanilino)methyl]triazol-1-yl]ethanol

2-[4-[(2-methoxy-5-methylanilino)methyl]triazol-1-yl]ethanol (PubChem CID 66269585) has the molecular formula C13H18N4O2 and a molecular weight of 262.31 g/mol. Its IUPAC name is 2-[4-[(2-methoxy-5-methylanilino)methyl]triazol-1-yl]ethanol.

Molecular Properties

Compound Name2-[4-[(2-methoxy-5-methylanilino)methyl]triazol-1-yl]ethanol
PubChem CID66269585
Molecular FormulaC13H18N4O2
Molecular Weight262.31 g/mol
Exact Mass262.14
IUPAC Name2-[4-[(2-methoxy-5-methylanilino)methyl]triazol-1-yl]ethanol
SMILESCOc1ccc(C)cc1NCc1cn(CCO)nn1
InChIInChI=1S/C13H18N4O2/c1-10-3-4-13(19-2)12(7-10)14-8-11-9-17(5-6-18)16-15-11/h3-4,7,9,14,18H,5-6,8H2,1-2H3
InChIKeyVVPAFGXOALGAAJ-UHFFFAOYSA-N
XLogP1.20
TPSA72.20 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 51.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[4-[(3-methylanilino)methyl]triazol-1-yl]ethanol
CID 66270531
2-[4-[(4-methyl-2-nitroanilino)methyl]triazol-1-yl]ethanol
CID 66270561
2-methoxy-5-methyl-N-[(1-propylpyrazol-3-yl)methyl]aniline
CID 19626016
3-[[1-(2-hydroxyethyl)triazol-4-yl]methylamino]-2,6-dimethylphenol
CID 66268480
2-[4-[(4-methoxy-2-nitroanilino)methyl]triazol-1-yl]ethanol
CID 66270181
N-[(1-ethylpyrazol-3-yl)methyl]-2-methoxy-5-methylaniline
CID 19619216
5-[[1-(2-hydroxyethyl)triazol-4-yl]methylamino]-2-methylphenol
CID 107701075
2-[4-[(2-propoxyanilino)methyl]triazol-1-yl]ethanol
CID 66269794
2-methoxy-5-methyl-N-[(1-propan-2-ylpyrazol-3-yl)methyl]aniline
CID 64771081
2-[4-[[1-(4-methylphenyl)ethylamino]methyl]triazol-1-yl]ethanol
CID 66268295
2-[4-(2-aminoethyl)triazol-1-yl]-N-(2-methoxy-5-methylphenyl)acetamide
CID 116642311
2-[4-[[(2-chloro-6-methoxyphenyl)methylamino]methyl]triazol-1-yl]ethanol
CID 103292077

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(2-methoxy-5-methylanilino)methyl]triazol-1-yl]ethanol?
The IUPAC name of 2-[4-[(2-methoxy-5-methylanilino)methyl]triazol-1-yl]ethanol (CID 66269585) is 2-[4-[(2-methoxy-5-methylanilino)methyl]triazol-1-yl]ethanol.
What is the SMILES notation for 2-[4-[(2-methoxy-5-methylanilino)methyl]triazol-1-yl]ethanol?
The canonical SMILES for 2-[4-[(2-methoxy-5-methylanilino)methyl]triazol-1-yl]ethanol is COc1ccc(C)cc1NCc1cn(CCO)nn1.
What is the InChIKey of 2-[4-[(2-methoxy-5-methylanilino)methyl]triazol-1-yl]ethanol?
The InChIKey is VVPAFGXOALGAAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O2/c1-10-3-4-13(19-2)12(7-10)14-8-11-9-17(5-6-18)16-15-11/h3-4,7,9,14,18H,5-6,8H2,1-2H3.
What are the key properties of 2-[4-[(2-methoxy-5-methylanilino)methyl]triazol-1-yl]ethanol?
2-[4-[(2-methoxy-5-methylanilino)methyl]triazol-1-yl]ethanol has a molecular weight of 262.31 g/mol, XLogP of 1.20, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(2-methoxy-5-methylanilino)methyl]triazol-1-yl]ethanol is sourced from PubChem (CID 66269585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).