2-[benzotriazol-1-ylmethyl(2-hydroxyethyl)amino]ethanol;ethane

C13H22N4O2 — CID 157371525

IUPAC2-[benzotriazol-1-ylmethyl(2-hydroxyethyl)amino]ethanol;ethane
SMILESCC.OCCN(CCO)Cn1nnc2ccccc21
InChIInChI=1S/C11H16N4O2.C2H6/c16-7-5-14(6-8-17)9-15-11-4-2-1-3-10(11)12-13-15;1-2/h1-4,16-17H,5-9H2;1-2H3
InChIKeyBJUYCJQTGHJEPZ-UHFFFAOYSA-N
MW266.34 g/mol
LogP0.70
Rot. Bonds6

About 2-[benzotriazol-1-ylmethyl(2-hydroxyethyl)amino]ethanol;ethane

2-[benzotriazol-1-ylmethyl(2-hydroxyethyl)amino]ethanol;ethane (PubChem CID 157371525) has the molecular formula C13H22N4O2 and a molecular weight of 266.34 g/mol. Its IUPAC name is 2-[benzotriazol-1-ylmethyl(2-hydroxyethyl)amino]ethanol;ethane.

Molecular Properties

Compound Name2-[benzotriazol-1-ylmethyl(2-hydroxyethyl)amino]ethanol;ethane
PubChem CID157371525
Molecular FormulaC13H22N4O2
Molecular Weight266.34 g/mol
Exact Mass266.17
IUPAC Name2-[benzotriazol-1-ylmethyl(2-hydroxyethyl)amino]ethanol;ethane
SMILESCC.OCCN(CCO)Cn1nnc2ccccc21
InChIInChI=1S/C11H16N4O2.C2H6/c16-7-5-14(6-8-17)9-15-11-4-2-1-3-10(11)12-13-15;1-2/h1-4,16-17H,5-9H2;1-2H3
InChIKeyBJUYCJQTGHJEPZ-UHFFFAOYSA-N
XLogP0.70
TPSA74.41 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 50.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-[[bis(2-hydroxyethyl)amino]methyl]-1,2,3-benzotriazin-4-one
CID 62020938
2-[2-hydroxyethyl-[(4-methylbenzotriazol-1-yl)methyl]amino]ethanol;2-[2-hydroxyethyl-[(5-methylbenzotriazol-1-yl)methyl]amino]ethanol
CID 162028303
3-[[2-hydroxyethyl(propyl)amino]methyl]-1,2,3-benzotriazin-4-one
CID 62013863
1,3-bis(benzotriazol-1-ylmethyl)-1,3-dimethylurea
CID 3839558
N,N-bis(benzotriazol-1-ylmethyl)-3-phenylpropan-1-amine
CID 3742816
1-(benzotriazol-1-ylmethyl)-1,3-dimethylurea
CID 3662418
N-(benzotriazol-1-ylmethyl)-N-tert-butylaniline
CID 3575493
ethyl 4-[benzotriazol-1-ylmethyl(benzyl)amino]butanoate
CID 118230372
sodium 2-(benzotriazol-1-yl)acetate
CID 23711121
N,N-bis(benzotriazol-1-ylmethyl)-4-bromoaniline
CID 118530723
1-[6-(benzotriazol-1-yl)hexyl]benzotriazole
CID 3740271
3-(benzotriazol-1-yl)propane-1,1-diol
CID 66686231

Frequently Asked Questions

What is the IUPAC name of 2-[benzotriazol-1-ylmethyl(2-hydroxyethyl)amino]ethanol;ethane?
The IUPAC name of 2-[benzotriazol-1-ylmethyl(2-hydroxyethyl)amino]ethanol;ethane (CID 157371525) is 2-[benzotriazol-1-ylmethyl(2-hydroxyethyl)amino]ethanol;ethane.
What is the SMILES notation for 2-[benzotriazol-1-ylmethyl(2-hydroxyethyl)amino]ethanol;ethane?
The canonical SMILES for 2-[benzotriazol-1-ylmethyl(2-hydroxyethyl)amino]ethanol;ethane is CC.OCCN(CCO)Cn1nnc2ccccc21.
What is the InChIKey of 2-[benzotriazol-1-ylmethyl(2-hydroxyethyl)amino]ethanol;ethane?
The InChIKey is BJUYCJQTGHJEPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O2.C2H6/c16-7-5-14(6-8-17)9-15-11-4-2-1-3-10(11)12-13-15;1-2/h1-4,16-17H,5-9H2;1-2H3.
What are the key properties of 2-[benzotriazol-1-ylmethyl(2-hydroxyethyl)amino]ethanol;ethane?
2-[benzotriazol-1-ylmethyl(2-hydroxyethyl)amino]ethanol;ethane has a molecular weight of 266.34 g/mol, XLogP of 0.70, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[benzotriazol-1-ylmethyl(2-hydroxyethyl)amino]ethanol;ethane is sourced from PubChem (CID 157371525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).