3-methyl-4-[(6-propan-2-yloxypyrazin-2-yl)amino]butan-1-ol

C12H21N3O2 — CID 133484788

IUPAC3-methyl-4-[(6-propan-2-yloxypyrazin-2-yl)amino]butan-1-ol
SMILESCC(CCO)CNc1cncc(OC(C)C)n1
InChIInChI=1S/C12H21N3O2/c1-9(2)17-12-8-13-7-11(15-12)14-6-10(3)4-5-16/h7-10,16H,4-6H2,1-3H3,(H,14,15)
InChIKeySSCQXAVKTMCQLL-UHFFFAOYSA-N
MW239.32 g/mol
LogP1.69
Rot. Bonds7

About 3-methyl-4-[(6-propan-2-yloxypyrazin-2-yl)amino]butan-1-ol

3-methyl-4-[(6-propan-2-yloxypyrazin-2-yl)amino]butan-1-ol (PubChem CID 133484788) has the molecular formula C12H21N3O2 and a molecular weight of 239.32 g/mol. Its IUPAC name is 3-methyl-4-[(6-propan-2-yloxypyrazin-2-yl)amino]butan-1-ol.

Molecular Properties

Compound Name3-methyl-4-[(6-propan-2-yloxypyrazin-2-yl)amino]butan-1-ol
PubChem CID133484788
Molecular FormulaC12H21N3O2
Molecular Weight239.32 g/mol
Exact Mass239.16
IUPAC Name3-methyl-4-[(6-propan-2-yloxypyrazin-2-yl)amino]butan-1-ol
SMILESCC(CCO)CNc1cncc(OC(C)C)n1
InChIInChI=1S/C12H21N3O2/c1-9(2)17-12-8-13-7-11(15-12)14-6-10(3)4-5-16/h7-10,16H,4-6H2,1-3H3,(H,14,15)
InChIKeySSCQXAVKTMCQLL-UHFFFAOYSA-N
XLogP1.69
TPSA67.27 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 3-methyl-4-[(6-propan-2-yloxypyrazin-2-yl)amino]butan-1-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 3-methyl-4-[(6-propan-2-yloxypyrazin-2-yl)amino]butan-1-ol?
The IUPAC name of 3-methyl-4-[(6-propan-2-yloxypyrazin-2-yl)amino]butan-1-ol (CID 133484788) is 3-methyl-4-[(6-propan-2-yloxypyrazin-2-yl)amino]butan-1-ol.
What is the SMILES notation for 3-methyl-4-[(6-propan-2-yloxypyrazin-2-yl)amino]butan-1-ol?
The canonical SMILES for 3-methyl-4-[(6-propan-2-yloxypyrazin-2-yl)amino]butan-1-ol is CC(CCO)CNc1cncc(OC(C)C)n1.
What is the InChIKey of 3-methyl-4-[(6-propan-2-yloxypyrazin-2-yl)amino]butan-1-ol?
The InChIKey is SSCQXAVKTMCQLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O2/c1-9(2)17-12-8-13-7-11(15-12)14-6-10(3)4-5-16/h7-10,16H,4-6H2,1-3H3,(H,14,15).
What are the key properties of 3-methyl-4-[(6-propan-2-yloxypyrazin-2-yl)amino]butan-1-ol?
3-methyl-4-[(6-propan-2-yloxypyrazin-2-yl)amino]butan-1-ol has a molecular weight of 239.32 g/mol, XLogP of 1.69, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-[(6-propan-2-yloxypyrazin-2-yl)amino]butan-1-ol is sourced from PubChem (CID 133484788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).