2-[[6-[[bis(2-hydroxyethyl)amino]methyl]pyrazin-2-yl]methyl-(2-hydroxyethyl)amino]ethanol

C14H26N4O4 — CID 22458026

IUPAC2-[[6-[[bis(2-hydroxyethyl)amino]methyl]pyrazin-2-yl]methyl-(2-hydroxyethyl)amino]ethanol
SMILESOCCN(CCO)Cc1cncc(CN(CCO)CCO)n1
InChIInChI=1S/C14H26N4O4/c19-5-1-17(2-6-20)11-13-9-15-10-14(16-13)12-18(3-7-21)4-8-22/h9-10,19-22H,1-8,11-12H2
InChIKeyVSFNTAVXGCGFQA-UHFFFAOYSA-N
MW314.39 g/mol
LogP-1.95
Rot. Bonds12

About 2-[[6-[[bis(2-hydroxyethyl)amino]methyl]pyrazin-2-yl]methyl-(2-hydroxyethyl)amino]ethanol

2-[[6-[[bis(2-hydroxyethyl)amino]methyl]pyrazin-2-yl]methyl-(2-hydroxyethyl)amino]ethanol (PubChem CID 22458026) has the molecular formula C14H26N4O4 and a molecular weight of 314.39 g/mol. Its IUPAC name is 2-[[6-[[bis(2-hydroxyethyl)amino]methyl]pyrazin-2-yl]methyl-(2-hydroxyethyl)amino]ethanol.

Molecular Properties

Compound Name2-[[6-[[bis(2-hydroxyethyl)amino]methyl]pyrazin-2-yl]methyl-(2-hydroxyethyl)amino]ethanol
PubChem CID22458026
Molecular FormulaC14H26N4O4
Molecular Weight314.39 g/mol
Exact Mass314.20
IUPAC Name2-[[6-[[bis(2-hydroxyethyl)amino]methyl]pyrazin-2-yl]methyl-(2-hydroxyethyl)amino]ethanol
SMILESOCCN(CCO)Cc1cncc(CN(CCO)CCO)n1
InChIInChI=1S/C14H26N4O4/c19-5-1-17(2-6-20)11-13-9-15-10-14(16-13)12-18(3-7-21)4-8-22/h9-10,19-22H,1-8,11-12H2
InChIKeyVSFNTAVXGCGFQA-UHFFFAOYSA-N
XLogP-1.95
TPSA113.18 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds12
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 5-1.95
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Analyze 2-[[6-[[bis(2-hydroxyethyl)amino]methyl]pyrazin-2-yl]methyl-(2-hydroxyethyl)amino]ethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(5-Chloropyrazin-2-yl)methyl-(2,2-difluoroethyl)amino]ethanol
CID 107479150
2-[(5-Chloropyrazin-2-yl)methyl-(2,2,2-trifluoroethyl)amino]ethanol
CID 107479169
2-[2,2-Difluoroethyl(pyrazin-2-ylmethyl)amino]ethanol
CID 107484967
2-[Pyrazin-2-ylmethyl(2,2,2-trifluoroethyl)amino]ethanol
CID 107485748
2-[(5-Methylpyrazin-2-yl)methyl-propan-2-ylamino]ethanol
CID 72104196
2-[[5-[[(1,3-Dihydroxy-2-methylpropan-2-yl)amino]methyl]pyrazin-2-yl]methylamino]-2-methylpropane-1,3-diol
CID 17907802
2-[[6-[[(1,3-Dihydroxy-2-methylpropan-2-yl)-methylamino]methyl]pyrazin-2-yl]methyl-methylamino]-2-methylpropane-1,3-diol
CID 17907803
2-[[5-[[(1,3-Dihydroxy-2-methylpropan-2-yl)-methylamino]methyl]pyrazin-2-yl]methyl-methylamino]-2-methylpropane-1,3-diol
CID 17907804
2-[[6-[[(1,3-Dihydroxy-2-methylpropan-2-yl)amino]methyl]pyrazin-2-yl]methylamino]-2-methylpropane-1,3-diol
CID 17907819
2-[(Pyrazin-2-ylmethyl)-amino]-ethanol
CID 21698097
3-[[5-[[2,3-Dihydroxypropyl(methyl)amino]methyl]pyrazin-2-yl]methyl-methylamino]propane-1,2-diol
CID 22457847
2-[[[6-[[[3-Hydroxy-2-(hydroxymethyl)propyl]amino]methyl]pyrazin-2-yl]methylamino]methyl]propane-1,3-diol
CID 22457885

Frequently Asked Questions

What is the IUPAC name of 2-[[6-[[bis(2-hydroxyethyl)amino]methyl]pyrazin-2-yl]methyl-(2-hydroxyethyl)amino]ethanol?
The IUPAC name of 2-[[6-[[bis(2-hydroxyethyl)amino]methyl]pyrazin-2-yl]methyl-(2-hydroxyethyl)amino]ethanol (CID 22458026) is 2-[[6-[[bis(2-hydroxyethyl)amino]methyl]pyrazin-2-yl]methyl-(2-hydroxyethyl)amino]ethanol.
What is the SMILES notation for 2-[[6-[[bis(2-hydroxyethyl)amino]methyl]pyrazin-2-yl]methyl-(2-hydroxyethyl)amino]ethanol?
The canonical SMILES for 2-[[6-[[bis(2-hydroxyethyl)amino]methyl]pyrazin-2-yl]methyl-(2-hydroxyethyl)amino]ethanol is OCCN(CCO)Cc1cncc(CN(CCO)CCO)n1.
What is the InChIKey of 2-[[6-[[bis(2-hydroxyethyl)amino]methyl]pyrazin-2-yl]methyl-(2-hydroxyethyl)amino]ethanol?
The InChIKey is VSFNTAVXGCGFQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4O4/c19-5-1-17(2-6-20)11-13-9-15-10-14(16-13)12-18(3-7-21)4-8-22/h9-10,19-22H,1-8,11-12H2.
What are the key properties of 2-[[6-[[bis(2-hydroxyethyl)amino]methyl]pyrazin-2-yl]methyl-(2-hydroxyethyl)amino]ethanol?
2-[[6-[[bis(2-hydroxyethyl)amino]methyl]pyrazin-2-yl]methyl-(2-hydroxyethyl)amino]ethanol has a molecular weight of 314.39 g/mol, XLogP of -1.95, 12 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[6-[[bis(2-hydroxyethyl)amino]methyl]pyrazin-2-yl]methyl-(2-hydroxyethyl)amino]ethanol is sourced from PubChem (CID 22458026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).