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

Related Compounds

6-(3-methoxypropoxy)-N-propan-2-ylpyrazin-2-amine
CID 172437171
6-(oxolan-3-yloxy)-N-propan-2-ylpyrazin-2-amine
CID 172437999
N-[2-(4-methoxypiperidin-1-yl)ethyl]-6-(2-methylpropoxy)pyrazin-2-amine
CID 71857378
2-[[6-(2-Methylpropoxy)pyrazin-2-yl]amino]propan-1-ol
CID 71922411
(2S)-1-[(6-cyclohexyloxypyrazin-2-yl)amino]propan-2-ol
CID 99777947
N-propyl-6-(1,1,1-trifluoropropan-2-yloxy)pyrazin-2-amine
CID 80878280
N-propyl-6-(4,4,4-trifluorobutoxy)pyrazin-2-amine
CID 82794296
6-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-N-propylpyrazin-2-amine
CID 102723658
1-[[5-(Trifluoromethoxy)pyrazin-2-yl]amino]pentan-3-ol
CID 114280896
3-Methyl-2-[[5-(trifluoromethoxy)pyrazin-2-yl]amino]butan-1-ol
CID 114280901
2,2-difluoro-N'-(6-propan-2-yloxypyrazin-2-yl)propane-1,3-diamine
CID 114384377
[3-Fluoro-1-[6-(2-methylpropoxy)pyrazin-2-yl]pyrrolidin-3-yl]methanol
CID 132301821

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).