3-(5-methylhexylamino)-1-propan-2-ylpyrazin-2-one

C14H25N3O — CID 113287631

IUPAC3-(5-methylhexylamino)-1-propan-2-ylpyrazin-2-one
SMILESCC(C)CCCCNc1nccn(C(C)C)c1=O
InChIInChI=1S/C14H25N3O/c1-11(2)7-5-6-8-15-13-14(18)17(12(3)4)10-9-16-13/h9-12H,5-8H2,1-4H3,(H,15,16)
InChIKeyOVNLIYBILDWOJJ-UHFFFAOYSA-N
MW251.37 g/mol
LogP3.06
Rot. Bonds7

About 3-(5-methylhexylamino)-1-propan-2-ylpyrazin-2-one

3-(5-methylhexylamino)-1-propan-2-ylpyrazin-2-one (PubChem CID 113287631) has the molecular formula C14H25N3O and a molecular weight of 251.37 g/mol. Its IUPAC name is 3-(5-methylhexylamino)-1-propan-2-ylpyrazin-2-one.

Molecular Properties

Compound Name3-(5-methylhexylamino)-1-propan-2-ylpyrazin-2-one
PubChem CID113287631
Molecular FormulaC14H25N3O
Molecular Weight251.37 g/mol
Exact Mass251.20
IUPAC Name3-(5-methylhexylamino)-1-propan-2-ylpyrazin-2-one
SMILESCC(C)CCCCNc1nccn(C(C)C)c1=O
InChIInChI=1S/C14H25N3O/c1-11(2)7-5-6-8-15-13-14(18)17(12(3)4)10-9-16-13/h9-12H,5-8H2,1-4H3,(H,15,16)
InChIKeyOVNLIYBILDWOJJ-UHFFFAOYSA-N
XLogP3.06
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-(Cyclopentylamino)-1-propyl-1,2-dihydropyrazin-2-one
CID 53015089
3-[(Propan-2-yl)amino]-1-propyl-1,2-dihydropyrazin-2-one
CID 53015090
1-(Propan-2-yl)-3-(propylamino)-1,2-dihydropyrazin-2-one
CID 53015093
3-(cyclohexylamino)-1-ethyl-2(1H)-pyrazinone
CID 53015097
3-(Cyclopentylamino)-1-ethyl-1,2-dihydropyrazin-2-one
CID 53015099
1-Ethyl-3-(2-methylpropylamino)pyrazin-2-one
CID 53015100
3-(Cyclopentylamino)-1-(2-methylpropyl)pyrazin-2-one
CID 53015104
3-(Cycloheptylamino)-1-ethyl-1,2-dihydropyrazin-2-one
CID 53015096
1-(2-Methylpropyl)-3-(4,4,4-trifluorobutan-2-ylamino)pyrazin-2-one
CID 105940351
1-Tert-butyl-3-(5,5,5-trifluoropentylamino)pyrazin-2-one
CID 115520596
1-(2-Methylpropyl)-3-(5,5,5-trifluoropentylamino)pyrazin-2-one
CID 115520620
1-Propan-2-yl-3-(5,5,5-trifluoropentylamino)pyrazin-2-one
CID 115520672

Frequently Asked Questions

What is the IUPAC name of 3-(5-methylhexylamino)-1-propan-2-ylpyrazin-2-one?
The IUPAC name of 3-(5-methylhexylamino)-1-propan-2-ylpyrazin-2-one (CID 113287631) is 3-(5-methylhexylamino)-1-propan-2-ylpyrazin-2-one.
What is the SMILES notation for 3-(5-methylhexylamino)-1-propan-2-ylpyrazin-2-one?
The canonical SMILES for 3-(5-methylhexylamino)-1-propan-2-ylpyrazin-2-one is CC(C)CCCCNc1nccn(C(C)C)c1=O.
What is the InChIKey of 3-(5-methylhexylamino)-1-propan-2-ylpyrazin-2-one?
The InChIKey is OVNLIYBILDWOJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O/c1-11(2)7-5-6-8-15-13-14(18)17(12(3)4)10-9-16-13/h9-12H,5-8H2,1-4H3,(H,15,16).
What are the key properties of 3-(5-methylhexylamino)-1-propan-2-ylpyrazin-2-one?
3-(5-methylhexylamino)-1-propan-2-ylpyrazin-2-one has a molecular weight of 251.37 g/mol, XLogP of 3.06, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-methylhexylamino)-1-propan-2-ylpyrazin-2-one is sourced from PubChem (CID 113287631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).