3-[[5-[[2,3-dihydroxypropyl(methyl)amino]methyl]pyrazin-2-yl]methyl-methylamino]propane-1,2-diol

C14H26N4O4 — CID 22457847

IUPAC3-[[5-[[2,3-dihydroxypropyl(methyl)amino]methyl]pyrazin-2-yl]methyl-methylamino]propane-1,2-diol
SMILESCN(Cc1cnc(CN(C)CC(O)CO)cn1)CC(O)CO
InChIInChI=1S/C14H26N4O4/c1-17(7-13(21)9-19)5-11-3-16-12(4-15-11)6-18(2)8-14(22)10-20/h3-4,13-14,19-22H,5-10H2,1-2H3
InChIKeyYSFVXQAHWGQMIV-UHFFFAOYSA-N
MW314.39 g/mol
LogP-1.95
Rot. Bonds10

About 3-[[5-[[2,3-dihydroxypropyl(methyl)amino]methyl]pyrazin-2-yl]methyl-methylamino]propane-1,2-diol

3-[[5-[[2,3-dihydroxypropyl(methyl)amino]methyl]pyrazin-2-yl]methyl-methylamino]propane-1,2-diol (PubChem CID 22457847) has the molecular formula C14H26N4O4 and a molecular weight of 314.39 g/mol. Its IUPAC name is 3-[[5-[[2,3-dihydroxypropyl(methyl)amino]methyl]pyrazin-2-yl]methyl-methylamino]propane-1,2-diol.

Molecular Properties

Compound Name3-[[5-[[2,3-dihydroxypropyl(methyl)amino]methyl]pyrazin-2-yl]methyl-methylamino]propane-1,2-diol
PubChem CID22457847
Molecular FormulaC14H26N4O4
Molecular Weight314.39 g/mol
Exact Mass314.20
IUPAC Name3-[[5-[[2,3-dihydroxypropyl(methyl)amino]methyl]pyrazin-2-yl]methyl-methylamino]propane-1,2-diol
SMILESCN(Cc1cnc(CN(C)CC(O)CO)cn1)CC(O)CO
InChIInChI=1S/C14H26N4O4/c1-17(7-13(21)9-19)5-11-3-16-12(4-15-11)6-18(2)8-14(22)10-20/h3-4,13-14,19-22H,5-10H2,1-2H3
InChIKeyYSFVXQAHWGQMIV-UHFFFAOYSA-N
XLogP-1.95
TPSA113.18 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds10
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 3-[[5-[[2,3-dihydroxypropyl(methyl)amino]methyl]pyrazin-2-yl]methyl-methylamino]propane-1,2-diol with MolForge

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Related Compounds

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CID 17907803
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CID 17907804
CID 17907804
CID 17907819
CID 17907819
CID 21340937
CID 21340937
CID 22457871
CID 22457871
CID 22457906
CID 22457906
CID 22457914
CID 22457914
CID 22457925
CID 22457925
CID 22457926
CID 22457926

Frequently Asked Questions

What is the IUPAC name of 3-[[5-[[2,3-dihydroxypropyl(methyl)amino]methyl]pyrazin-2-yl]methyl-methylamino]propane-1,2-diol?
The IUPAC name of 3-[[5-[[2,3-dihydroxypropyl(methyl)amino]methyl]pyrazin-2-yl]methyl-methylamino]propane-1,2-diol (CID 22457847) is 3-[[5-[[2,3-dihydroxypropyl(methyl)amino]methyl]pyrazin-2-yl]methyl-methylamino]propane-1,2-diol.
What is the SMILES notation for 3-[[5-[[2,3-dihydroxypropyl(methyl)amino]methyl]pyrazin-2-yl]methyl-methylamino]propane-1,2-diol?
The canonical SMILES for 3-[[5-[[2,3-dihydroxypropyl(methyl)amino]methyl]pyrazin-2-yl]methyl-methylamino]propane-1,2-diol is CN(Cc1cnc(CN(C)CC(O)CO)cn1)CC(O)CO.
What is the InChIKey of 3-[[5-[[2,3-dihydroxypropyl(methyl)amino]methyl]pyrazin-2-yl]methyl-methylamino]propane-1,2-diol?
The InChIKey is YSFVXQAHWGQMIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4O4/c1-17(7-13(21)9-19)5-11-3-16-12(4-15-11)6-18(2)8-14(22)10-20/h3-4,13-14,19-22H,5-10H2,1-2H3.
What are the key properties of 3-[[5-[[2,3-dihydroxypropyl(methyl)amino]methyl]pyrazin-2-yl]methyl-methylamino]propane-1,2-diol?
3-[[5-[[2,3-dihydroxypropyl(methyl)amino]methyl]pyrazin-2-yl]methyl-methylamino]propane-1,2-diol has a molecular weight of 314.39 g/mol, XLogP of -1.95, 10 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[5-[[2,3-dihydroxypropyl(methyl)amino]methyl]pyrazin-2-yl]methyl-methylamino]propane-1,2-diol is sourced from PubChem (CID 22457847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).