2-[2-[4-(methylaminomethyl)triazol-1-yl]ethoxy]ethanol

C8H16N4O2 — CID 66215241

IUPAC2-[2-[4-(methylaminomethyl)triazol-1-yl]ethoxy]ethanol
SMILESCNCc1cn(CCOCCO)nn1
InChIInChI=1S/C8H16N4O2/c1-9-6-8-7-12(11-10-8)2-4-14-5-3-13/h7,9,13H,2-6H2,1H3
InChIKeyNXSHBRQUDATLRO-UHFFFAOYSA-N
MW200.24 g/mol
LogP-0.99
Rot. Bonds7

About 2-[2-[4-(methylaminomethyl)triazol-1-yl]ethoxy]ethanol

2-[2-[4-(methylaminomethyl)triazol-1-yl]ethoxy]ethanol (PubChem CID 66215241) has the molecular formula C8H16N4O2 and a molecular weight of 200.24 g/mol. Its IUPAC name is 2-[2-[4-(methylaminomethyl)triazol-1-yl]ethoxy]ethanol.

Molecular Properties

Compound Name2-[2-[4-(methylaminomethyl)triazol-1-yl]ethoxy]ethanol
PubChem CID66215241
Molecular FormulaC8H16N4O2
Molecular Weight200.24 g/mol
Exact Mass200.13
IUPAC Name2-[2-[4-(methylaminomethyl)triazol-1-yl]ethoxy]ethanol
SMILESCNCc1cn(CCOCCO)nn1
InChIInChI=1S/C8H16N4O2/c1-9-6-8-7-12(11-10-8)2-4-14-5-3-13/h7,9,13H,2-6H2,1H3
InChIKeyNXSHBRQUDATLRO-UHFFFAOYSA-N
XLogP-0.99
TPSA72.20 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.24
LogP ≤ 5-0.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-[1-[2-(2-cyclopropylethoxy)ethyl]triazol-4-yl]-N-methylmethanamine
CID 106205756
1-[1-[2-(2-hydroxyethoxy)ethyl]triazol-4-yl]-2-methylpropan-2-ol
CID 90985884
2-[2-[2-[2-[4-[[bis[[1-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethyl]triazol-4-yl]methyl]amino]methyl]triazol-1-yl]ethoxy]ethoxy]ethoxy]ethanol
CID 102046479
N-methyl-1-[1-[2-(trifluoromethoxy)ethyl]triazol-4-yl]methanamine
CID 66192704
N-[[1-(2-propoxyethyl)triazol-4-yl]methyl]ethanamine
CID 62450786
1-[1-[2-(3,5-dimethoxyphenoxy)ethyl]triazol-4-yl]-N-methylmethanamine
CID 62451375
1-[1-[2-[(2-chlorophenyl)methoxy]ethyl]triazol-4-yl]-N-methylmethanamine
CID 62445319
N-methyl-1-[1-[2-(4-methylphenoxy)ethyl]triazol-4-yl]methanamine
CID 62450708
N-[[1-[2-(3,3-dimethylbutoxy)ethyl]triazol-4-yl]methyl]ethanamine
CID 66224811
2-[2-(1-ethyltriazol-4-yl)ethoxy]ethanol
CID 155740435
2-[2-[2-(4-tert-butyltriazol-1-yl)ethoxy]ethoxy]ethanol;ethane
CID 171646885
3-[2-[4-(ethylaminomethyl)triazol-1-yl]ethoxy]-N,N-dimethylpropan-1-amine
CID 62458826

Frequently Asked Questions

What is the IUPAC name of 2-[2-[4-(methylaminomethyl)triazol-1-yl]ethoxy]ethanol?
The IUPAC name of 2-[2-[4-(methylaminomethyl)triazol-1-yl]ethoxy]ethanol (CID 66215241) is 2-[2-[4-(methylaminomethyl)triazol-1-yl]ethoxy]ethanol.
What is the SMILES notation for 2-[2-[4-(methylaminomethyl)triazol-1-yl]ethoxy]ethanol?
The canonical SMILES for 2-[2-[4-(methylaminomethyl)triazol-1-yl]ethoxy]ethanol is CNCc1cn(CCOCCO)nn1.
What is the InChIKey of 2-[2-[4-(methylaminomethyl)triazol-1-yl]ethoxy]ethanol?
The InChIKey is NXSHBRQUDATLRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N4O2/c1-9-6-8-7-12(11-10-8)2-4-14-5-3-13/h7,9,13H,2-6H2,1H3.
What are the key properties of 2-[2-[4-(methylaminomethyl)triazol-1-yl]ethoxy]ethanol?
2-[2-[4-(methylaminomethyl)triazol-1-yl]ethoxy]ethanol has a molecular weight of 200.24 g/mol, XLogP of -0.99, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[4-(methylaminomethyl)triazol-1-yl]ethoxy]ethanol is sourced from PubChem (CID 66215241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).