2-[4-(aminomethyl)-5-(2-methoxyphenyl)triazol-1-yl]ethanol

C12H16N4O2 — CID 82210106

IUPAC2-[4-(aminomethyl)-5-(2-methoxyphenyl)triazol-1-yl]ethanol
SMILESCOc1ccccc1-c1c(CN)nnn1CCO
InChIInChI=1S/C12H16N4O2/c1-18-11-5-3-2-4-9(11)12-10(8-13)14-15-16(12)6-7-17/h2-5,17H,6-8,13H2,1H3
InChIKeyXADCONXUCOFOPH-UHFFFAOYSA-N
MW248.29 g/mol
LogP0.40
Rot. Bonds5

About 2-[4-(aminomethyl)-5-(2-methoxyphenyl)triazol-1-yl]ethanol

2-[4-(aminomethyl)-5-(2-methoxyphenyl)triazol-1-yl]ethanol (PubChem CID 82210106) has the molecular formula C12H16N4O2 and a molecular weight of 248.29 g/mol. Its IUPAC name is 2-[4-(aminomethyl)-5-(2-methoxyphenyl)triazol-1-yl]ethanol.

Molecular Properties

Compound Name2-[4-(aminomethyl)-5-(2-methoxyphenyl)triazol-1-yl]ethanol
PubChem CID82210106
Molecular FormulaC12H16N4O2
Molecular Weight248.29 g/mol
Exact Mass248.13
IUPAC Name2-[4-(aminomethyl)-5-(2-methoxyphenyl)triazol-1-yl]ethanol
SMILESCOc1ccccc1-c1c(CN)nnn1CCO
InChIInChI=1S/C12H16N4O2/c1-18-11-5-3-2-4-9(11)12-10(8-13)14-15-16(12)6-7-17/h2-5,17H,6-8,13H2,1H3
InChIKeyXADCONXUCOFOPH-UHFFFAOYSA-N
XLogP0.40
TPSA86.19 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.29
LogP ≤ 50.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

[1-heptyl-5-(2-methoxyphenyl)triazol-4-yl]methanamine
CID 82208122
[1-ethyl-5-(2-methoxyphenyl)triazol-4-yl]methanol
CID 82207271
[1-heptyl-5-(2-methoxyphenyl)triazol-4-yl]methanol
CID 82208051
2-[4-(aminomethyl)-5-(3,4,5-trimethoxyphenyl)triazol-1-yl]ethanol
CID 94945382
3-[4-(hydroxymethyl)-5-(2-methoxyphenyl)triazol-1-yl]propane-1,2-diol
CID 82210264
[1-(4-chlorophenyl)-5-(2-methoxyphenyl)triazol-4-yl]methanamine
CID 94940134
2-[4-(aminomethyl)-5-(3-methylphenyl)triazol-1-yl]ethanol
CID 82210098
2-[4-(aminomethyl)-5-(3-chlorophenyl)triazol-1-yl]ethanol
CID 82210126
[5-(3,4-dimethoxyphenyl)-1-propyltriazol-4-yl]methanamine
CID 82205143
[1-butyl-5-(2-fluorophenyl)triazol-4-yl]methanamine
CID 82205505
1-(2-methoxyethyl)-5-(2-methoxyphenyl)triazole-4-carboxylic acid
CID 102642652
5-(2-methoxyphenyl)-1-(3-methylbutyl)triazole-4-carbaldehyde
CID 82208267

Frequently Asked Questions

What is the IUPAC name of 2-[4-(aminomethyl)-5-(2-methoxyphenyl)triazol-1-yl]ethanol?
The IUPAC name of 2-[4-(aminomethyl)-5-(2-methoxyphenyl)triazol-1-yl]ethanol (CID 82210106) is 2-[4-(aminomethyl)-5-(2-methoxyphenyl)triazol-1-yl]ethanol.
What is the SMILES notation for 2-[4-(aminomethyl)-5-(2-methoxyphenyl)triazol-1-yl]ethanol?
The canonical SMILES for 2-[4-(aminomethyl)-5-(2-methoxyphenyl)triazol-1-yl]ethanol is COc1ccccc1-c1c(CN)nnn1CCO.
What is the InChIKey of 2-[4-(aminomethyl)-5-(2-methoxyphenyl)triazol-1-yl]ethanol?
The InChIKey is XADCONXUCOFOPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O2/c1-18-11-5-3-2-4-9(11)12-10(8-13)14-15-16(12)6-7-17/h2-5,17H,6-8,13H2,1H3.
What are the key properties of 2-[4-(aminomethyl)-5-(2-methoxyphenyl)triazol-1-yl]ethanol?
2-[4-(aminomethyl)-5-(2-methoxyphenyl)triazol-1-yl]ethanol has a molecular weight of 248.29 g/mol, XLogP of 0.40, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(aminomethyl)-5-(2-methoxyphenyl)triazol-1-yl]ethanol is sourced from PubChem (CID 82210106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).