2-[[6-(2-methylpropoxy)pyrazin-2-yl]amino]propan-1-ol

C11H19N3O2 — CID 71922411

IUPAC2-[[6-(2-methylpropoxy)pyrazin-2-yl]amino]propan-1-ol
SMILESCC(C)COc1cncc(NC(C)CO)n1
InChIInChI=1S/C11H19N3O2/c1-8(2)7-16-11-5-12-4-10(14-11)13-9(3)6-15/h4-5,8-9,15H,6-7H2,1-3H3,(H,13,14)
InChIKeyYQICLVACZOJCPS-UHFFFAOYSA-N
MW225.29 g/mol
LogP1.30
Rot. Bonds6

About 2-[[6-(2-methylpropoxy)pyrazin-2-yl]amino]propan-1-ol

2-[[6-(2-methylpropoxy)pyrazin-2-yl]amino]propan-1-ol (PubChem CID 71922411) has the molecular formula C11H19N3O2 and a molecular weight of 225.29 g/mol. Its IUPAC name is 2-[[6-(2-methylpropoxy)pyrazin-2-yl]amino]propan-1-ol.

Molecular Properties

Compound Name2-[[6-(2-methylpropoxy)pyrazin-2-yl]amino]propan-1-ol
PubChem CID71922411
Molecular FormulaC11H19N3O2
Molecular Weight225.29 g/mol
Exact Mass225.15
IUPAC Name2-[[6-(2-methylpropoxy)pyrazin-2-yl]amino]propan-1-ol
SMILESCC(C)COc1cncc(NC(C)CO)n1
InChIInChI=1S/C11H19N3O2/c1-8(2)7-16-11-5-12-4-10(14-11)13-9(3)6-15/h4-5,8-9,15H,6-7H2,1-3H3,(H,13,14)
InChIKeyYQICLVACZOJCPS-UHFFFAOYSA-N
XLogP1.30
TPSA67.27 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 51.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[[6-(2-methylpropoxy)pyrazin-2-yl]amino]propan-1-ol?
The IUPAC name of 2-[[6-(2-methylpropoxy)pyrazin-2-yl]amino]propan-1-ol (CID 71922411) is 2-[[6-(2-methylpropoxy)pyrazin-2-yl]amino]propan-1-ol.
What is the SMILES notation for 2-[[6-(2-methylpropoxy)pyrazin-2-yl]amino]propan-1-ol?
The canonical SMILES for 2-[[6-(2-methylpropoxy)pyrazin-2-yl]amino]propan-1-ol is CC(C)COc1cncc(NC(C)CO)n1.
What is the InChIKey of 2-[[6-(2-methylpropoxy)pyrazin-2-yl]amino]propan-1-ol?
The InChIKey is YQICLVACZOJCPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O2/c1-8(2)7-16-11-5-12-4-10(14-11)13-9(3)6-15/h4-5,8-9,15H,6-7H2,1-3H3,(H,13,14).
What are the key properties of 2-[[6-(2-methylpropoxy)pyrazin-2-yl]amino]propan-1-ol?
2-[[6-(2-methylpropoxy)pyrazin-2-yl]amino]propan-1-ol has a molecular weight of 225.29 g/mol, XLogP of 1.30, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[6-(2-methylpropoxy)pyrazin-2-yl]amino]propan-1-ol is sourced from PubChem (CID 71922411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).