2-[1-(4-methyl-1,2,4-triazol-3-yl)ethylamino]ethanol

C7H14N4O — CID 55211655

IUPAC2-[1-(4-methyl-1,2,4-triazol-3-yl)ethylamino]ethanol
SMILESCC(NCCO)c1nncn1C
InChIInChI=1S/C7H14N4O/c1-6(8-3-4-12)7-10-9-5-11(7)2/h5-6,8,12H,3-4H2,1-2H3
InChIKeyDXZCWEDBKMGGAG-UHFFFAOYSA-N
MW170.22 g/mol
LogP-0.54
Rot. Bonds4

About 2-[1-(4-methyl-1,2,4-triazol-3-yl)ethylamino]ethanol

2-[1-(4-methyl-1,2,4-triazol-3-yl)ethylamino]ethanol (PubChem CID 55211655) has the molecular formula C7H14N4O and a molecular weight of 170.22 g/mol. Its IUPAC name is 2-[1-(4-methyl-1,2,4-triazol-3-yl)ethylamino]ethanol.

Molecular Properties

Compound Name2-[1-(4-methyl-1,2,4-triazol-3-yl)ethylamino]ethanol
PubChem CID55211655
Molecular FormulaC7H14N4O
Molecular Weight170.22 g/mol
Exact Mass170.12
IUPAC Name2-[1-(4-methyl-1,2,4-triazol-3-yl)ethylamino]ethanol
SMILESCC(NCCO)c1nncn1C
InChIInChI=1S/C7H14N4O/c1-6(8-3-4-12)7-10-9-5-11(7)2/h5-6,8,12H,3-4H2,1-2H3
InChIKeyDXZCWEDBKMGGAG-UHFFFAOYSA-N
XLogP-0.54
TPSA62.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.22
LogP ≤ 5-0.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N'-tert-butyl-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]ethane-1,2-diamine
CID 107445034
3,3-dimethyl-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]butan-1-amine
CID 62119018
3-[1-(4-methyl-1,2,4-triazol-3-yl)ethylamino]propanenitrile
CID 62117721
2-ethyl-2-[[1-(4-methyl-1,2,4-triazol-3-yl)ethylamino]methyl]butan-1-ol
CID 81412437
N-methyl-2-[1-(4-methyl-1,2,4-triazol-3-yl)ethylamino]acetamide
CID 62118292
N,N-diethyl-2-[1-(4-methyl-1,2,4-triazol-3-yl)ethylamino]acetamide
CID 62119394
1-(azepan-1-yl)-2-[1-(4-methyl-1,2,4-triazol-3-yl)ethylamino]ethanone
CID 62118099
1-(4-methyl-1,2,4-triazol-3-yl)-N-(pyrimidin-2-ylmethyl)ethanamine
CID 62700669
N-[(4-ethylphenyl)methyl]-1-(4-methyl-1,2,4-triazol-3-yl)ethanamine
CID 43703003
[1-[[1-(4-methyl-1,2,4-triazol-3-yl)ethylamino]methyl]cyclohexyl]methanol
CID 81413588
N-(3-methylbutyl)-2-[1-(4-methyl-1,2,4-triazol-3-yl)ethylamino]acetamide
CID 55038244
2-methyl-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]pentan-3-amine
CID 43783872

Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-methyl-1,2,4-triazol-3-yl)ethylamino]ethanol?
The IUPAC name of 2-[1-(4-methyl-1,2,4-triazol-3-yl)ethylamino]ethanol (CID 55211655) is 2-[1-(4-methyl-1,2,4-triazol-3-yl)ethylamino]ethanol.
What is the SMILES notation for 2-[1-(4-methyl-1,2,4-triazol-3-yl)ethylamino]ethanol?
The canonical SMILES for 2-[1-(4-methyl-1,2,4-triazol-3-yl)ethylamino]ethanol is CC(NCCO)c1nncn1C.
What is the InChIKey of 2-[1-(4-methyl-1,2,4-triazol-3-yl)ethylamino]ethanol?
The InChIKey is DXZCWEDBKMGGAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N4O/c1-6(8-3-4-12)7-10-9-5-11(7)2/h5-6,8,12H,3-4H2,1-2H3.
What are the key properties of 2-[1-(4-methyl-1,2,4-triazol-3-yl)ethylamino]ethanol?
2-[1-(4-methyl-1,2,4-triazol-3-yl)ethylamino]ethanol has a molecular weight of 170.22 g/mol, XLogP of -0.54, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-methyl-1,2,4-triazol-3-yl)ethylamino]ethanol is sourced from PubChem (CID 55211655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).