3-(2-hydroxyhexylamino)-1-pyrazin-2-ylpropan-1-one

C13H21N3O2 — CID 70926527

IUPAC3-(2-hydroxyhexylamino)-1-pyrazin-2-ylpropan-1-one
SMILESCCCCC(O)CNCCC(=O)c1cnccn1
InChIInChI=1S/C13H21N3O2/c1-2-3-4-11(17)9-14-6-5-13(18)12-10-15-7-8-16-12/h7-8,10-11,14,17H,2-6,9H2,1H3
InChIKeyLIWAZHDCVTWZBP-UHFFFAOYSA-N
MW251.33 g/mol
LogP1.19
Rot. Bonds9

About 3-(2-hydroxyhexylamino)-1-pyrazin-2-ylpropan-1-one

3-(2-hydroxyhexylamino)-1-pyrazin-2-ylpropan-1-one (PubChem CID 70926527) has the molecular formula C13H21N3O2 and a molecular weight of 251.33 g/mol. Its IUPAC name is 3-(2-hydroxyhexylamino)-1-pyrazin-2-ylpropan-1-one.

Molecular Properties

Compound Name3-(2-hydroxyhexylamino)-1-pyrazin-2-ylpropan-1-one
PubChem CID70926527
Molecular FormulaC13H21N3O2
Molecular Weight251.33 g/mol
Exact Mass251.16
IUPAC Name3-(2-hydroxyhexylamino)-1-pyrazin-2-ylpropan-1-one
SMILESCCCCC(O)CNCCC(=O)c1cnccn1
InChIInChI=1S/C13H21N3O2/c1-2-3-4-11(17)9-14-6-5-13(18)12-10-15-7-8-16-12/h7-8,10-11,14,17H,2-6,9H2,1H3
InChIKeyLIWAZHDCVTWZBP-UHFFFAOYSA-N
XLogP1.19
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 51.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-pyrazin-2-ylhexan-1-one
CID 22507174
4-methyl-1-pyrazin-2-ylpentan-1-one
CID 62620603
5-amino-1-pyrazin-2-ylhexan-1-one
CID 116610178
2-(pyrazine-2-carbonylamino)hexanoic acid
CID 43388148
4-ethylsulfonyl-1-pyrazin-2-ylbutan-1-one
CID 65098159
potassium 3-[2-(2-hydroxyhexylamino)ethylamino]propanoate
CID 101284168
3-(cyclopropylamino)-1-pyrazin-2-ylpropan-1-one
CID 116559359
5-amino-4-methyl-1-pyrazin-2-ylpentan-1-one
CID 116607604
ethyl 2-(pyrazine-2-carbonyl)hexanoate
CID 21329208
4-amino-1-pyrazin-2-ylbutan-1-one
CID 116553317
4-methoxy-1-pyrazin-2-ylbutan-1-one
CID 62620232
7-amino-1-pyrazin-2-ylheptan-1-one
CID 116551534

Frequently Asked Questions

What is the IUPAC name of 3-(2-hydroxyhexylamino)-1-pyrazin-2-ylpropan-1-one?
The IUPAC name of 3-(2-hydroxyhexylamino)-1-pyrazin-2-ylpropan-1-one (CID 70926527) is 3-(2-hydroxyhexylamino)-1-pyrazin-2-ylpropan-1-one.
What is the SMILES notation for 3-(2-hydroxyhexylamino)-1-pyrazin-2-ylpropan-1-one?
The canonical SMILES for 3-(2-hydroxyhexylamino)-1-pyrazin-2-ylpropan-1-one is CCCCC(O)CNCCC(=O)c1cnccn1.
What is the InChIKey of 3-(2-hydroxyhexylamino)-1-pyrazin-2-ylpropan-1-one?
The InChIKey is LIWAZHDCVTWZBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O2/c1-2-3-4-11(17)9-14-6-5-13(18)12-10-15-7-8-16-12/h7-8,10-11,14,17H,2-6,9H2,1H3.
What are the key properties of 3-(2-hydroxyhexylamino)-1-pyrazin-2-ylpropan-1-one?
3-(2-hydroxyhexylamino)-1-pyrazin-2-ylpropan-1-one has a molecular weight of 251.33 g/mol, XLogP of 1.19, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-hydroxyhexylamino)-1-pyrazin-2-ylpropan-1-one is sourced from PubChem (CID 70926527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).