2-[[[6-[[[3-hydroxy-2-(hydroxymethyl)propyl]amino]methyl]pyrazin-2-yl]methylamino]methyl]propane-1,3-diol

C14H26N4O4 — CID 22457885

IUPAC2-[[[6-[[[3-hydroxy-2-(hydroxymethyl)propyl]amino]methyl]pyrazin-2-yl]methylamino]methyl]propane-1,3-diol
SMILESOCC(CO)CNCc1cncc(CNCC(CO)CO)n1
InChIInChI=1S/C14H26N4O4/c19-7-11(8-20)1-15-3-13-5-17-6-14(18-13)4-16-2-12(9-21)10-22/h5-6,11-12,15-16,19-22H,1-4,7-10H2
InChIKeyOCFQLPYQACSMMM-UHFFFAOYSA-N
MW314.39 g/mol
LogP-2.14
Rot. Bonds12

About 2-[[[6-[[[3-hydroxy-2-(hydroxymethyl)propyl]amino]methyl]pyrazin-2-yl]methylamino]methyl]propane-1,3-diol

2-[[[6-[[[3-hydroxy-2-(hydroxymethyl)propyl]amino]methyl]pyrazin-2-yl]methylamino]methyl]propane-1,3-diol (PubChem CID 22457885) has the molecular formula C14H26N4O4 and a molecular weight of 314.39 g/mol. Its IUPAC name is 2-[[[6-[[[3-hydroxy-2-(hydroxymethyl)propyl]amino]methyl]pyrazin-2-yl]methylamino]methyl]propane-1,3-diol.

Molecular Properties

Compound Name2-[[[6-[[[3-hydroxy-2-(hydroxymethyl)propyl]amino]methyl]pyrazin-2-yl]methylamino]methyl]propane-1,3-diol
PubChem CID22457885
Molecular FormulaC14H26N4O4
Molecular Weight314.39 g/mol
Exact Mass314.20
IUPAC Name2-[[[6-[[[3-hydroxy-2-(hydroxymethyl)propyl]amino]methyl]pyrazin-2-yl]methylamino]methyl]propane-1,3-diol
SMILESOCC(CO)CNCc1cncc(CNCC(CO)CO)n1
InChIInChI=1S/C14H26N4O4/c19-7-11(8-20)1-15-3-13-5-17-6-14(18-13)4-16-2-12(9-21)10-22/h5-6,11-12,15-16,19-22H,1-4,7-10H2
InChIKeyOCFQLPYQACSMMM-UHFFFAOYSA-N
XLogP-2.14
TPSA130.76 Ų
H-Bond Donors6
H-Bond Acceptors8
Rotatable Bonds12
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500314.39
LogP ≤ 5-2.14
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 108

Analyze 2-[[[6-[[[3-hydroxy-2-(hydroxymethyl)propyl]amino]methyl]pyrazin-2-yl]methylamino]methyl]propane-1,3-diol with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[[[6-[[[3-hydroxy-2-(hydroxymethyl)propyl]amino]methyl]pyrazin-2-yl]methylamino]methyl]propane-1,3-diol?
The IUPAC name of 2-[[[6-[[[3-hydroxy-2-(hydroxymethyl)propyl]amino]methyl]pyrazin-2-yl]methylamino]methyl]propane-1,3-diol (CID 22457885) is 2-[[[6-[[[3-hydroxy-2-(hydroxymethyl)propyl]amino]methyl]pyrazin-2-yl]methylamino]methyl]propane-1,3-diol.
What is the SMILES notation for 2-[[[6-[[[3-hydroxy-2-(hydroxymethyl)propyl]amino]methyl]pyrazin-2-yl]methylamino]methyl]propane-1,3-diol?
The canonical SMILES for 2-[[[6-[[[3-hydroxy-2-(hydroxymethyl)propyl]amino]methyl]pyrazin-2-yl]methylamino]methyl]propane-1,3-diol is OCC(CO)CNCc1cncc(CNCC(CO)CO)n1.
What is the InChIKey of 2-[[[6-[[[3-hydroxy-2-(hydroxymethyl)propyl]amino]methyl]pyrazin-2-yl]methylamino]methyl]propane-1,3-diol?
The InChIKey is OCFQLPYQACSMMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4O4/c19-7-11(8-20)1-15-3-13-5-17-6-14(18-13)4-16-2-12(9-21)10-22/h5-6,11-12,15-16,19-22H,1-4,7-10H2.
What are the key properties of 2-[[[6-[[[3-hydroxy-2-(hydroxymethyl)propyl]amino]methyl]pyrazin-2-yl]methylamino]methyl]propane-1,3-diol?
2-[[[6-[[[3-hydroxy-2-(hydroxymethyl)propyl]amino]methyl]pyrazin-2-yl]methylamino]methyl]propane-1,3-diol has a molecular weight of 314.39 g/mol, XLogP of -2.14, 12 rotatable bonds, 6 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[[6-[[[3-hydroxy-2-(hydroxymethyl)propyl]amino]methyl]pyrazin-2-yl]methylamino]methyl]propane-1,3-diol is sourced from PubChem (CID 22457885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).