1-[(5-aminopyrazin-2-yl)-methylamino]propan-2-ol

C8H14N4O — CID 80652394

IUPAC1-[(5-aminopyrazin-2-yl)-methylamino]propan-2-ol
SMILESCC(O)CN(C)c1cnc(N)cn1
InChIInChI=1S/C8H14N4O/c1-6(13)5-12(2)8-4-10-7(9)3-11-8/h3-4,6,13H,5H2,1-2H3,(H2,9,10)
InChIKeyOFPYBOGUKVBDDT-UHFFFAOYSA-N
MW182.23 g/mol
LogP-0.12
Rot. Bonds3

About 1-[(5-aminopyrazin-2-yl)-methylamino]propan-2-ol

1-[(5-aminopyrazin-2-yl)-methylamino]propan-2-ol (PubChem CID 80652394) has the molecular formula C8H14N4O and a molecular weight of 182.23 g/mol. Its IUPAC name is 1-[(5-aminopyrazin-2-yl)-methylamino]propan-2-ol.

Molecular Properties

Compound Name1-[(5-aminopyrazin-2-yl)-methylamino]propan-2-ol
PubChem CID80652394
Molecular FormulaC8H14N4O
Molecular Weight182.23 g/mol
Exact Mass182.12
IUPAC Name1-[(5-aminopyrazin-2-yl)-methylamino]propan-2-ol
SMILESCC(O)CN(C)c1cnc(N)cn1
InChIInChI=1S/C8H14N4O/c1-6(13)5-12(2)8-4-10-7(9)3-11-8/h3-4,6,13H,5H2,1-2H3,(H2,9,10)
InChIKeyOFPYBOGUKVBDDT-UHFFFAOYSA-N
XLogP-0.12
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.23
LogP ≤ 5-0.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-[(5-aminopyrazin-2-yl)-methylamino]propan-2-ol 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 1-[(5-aminopyrazin-2-yl)-methylamino]propan-2-ol?
The IUPAC name of 1-[(5-aminopyrazin-2-yl)-methylamino]propan-2-ol (CID 80652394) is 1-[(5-aminopyrazin-2-yl)-methylamino]propan-2-ol.
What is the SMILES notation for 1-[(5-aminopyrazin-2-yl)-methylamino]propan-2-ol?
The canonical SMILES for 1-[(5-aminopyrazin-2-yl)-methylamino]propan-2-ol is CC(O)CN(C)c1cnc(N)cn1.
What is the InChIKey of 1-[(5-aminopyrazin-2-yl)-methylamino]propan-2-ol?
The InChIKey is OFPYBOGUKVBDDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N4O/c1-6(13)5-12(2)8-4-10-7(9)3-11-8/h3-4,6,13H,5H2,1-2H3,(H2,9,10).
What are the key properties of 1-[(5-aminopyrazin-2-yl)-methylamino]propan-2-ol?
1-[(5-aminopyrazin-2-yl)-methylamino]propan-2-ol has a molecular weight of 182.23 g/mol, XLogP of -0.12, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-aminopyrazin-2-yl)-methylamino]propan-2-ol is sourced from PubChem (CID 80652394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).