3-(5-methylhexan-2-ylamino)-1-(2-methylpropyl)pyrazin-2-one

C15H27N3O — CID 63926505

IUPAC3-(5-methylhexan-2-ylamino)-1-(2-methylpropyl)pyrazin-2-one
SMILESCC(C)CCC(C)Nc1nccn(CC(C)C)c1=O
InChIInChI=1S/C15H27N3O/c1-11(2)6-7-13(5)17-14-15(19)18(9-8-16-14)10-12(3)4/h8-9,11-13H,6-7,10H2,1-5H3,(H,16,17)
InChIKeyXXQCGDABTBPMSB-UHFFFAOYSA-N
MW265.40 g/mol
LogP3.14
Rot. Bonds7

About 3-(5-methylhexan-2-ylamino)-1-(2-methylpropyl)pyrazin-2-one

3-(5-methylhexan-2-ylamino)-1-(2-methylpropyl)pyrazin-2-one (PubChem CID 63926505) has the molecular formula C15H27N3O and a molecular weight of 265.40 g/mol. Its IUPAC name is 3-(5-methylhexan-2-ylamino)-1-(2-methylpropyl)pyrazin-2-one.

Molecular Properties

Compound Name3-(5-methylhexan-2-ylamino)-1-(2-methylpropyl)pyrazin-2-one
PubChem CID63926505
Molecular FormulaC15H27N3O
Molecular Weight265.40 g/mol
Exact Mass265.22
IUPAC Name3-(5-methylhexan-2-ylamino)-1-(2-methylpropyl)pyrazin-2-one
SMILESCC(C)CCC(C)Nc1nccn(CC(C)C)c1=O
InChIInChI=1S/C15H27N3O/c1-11(2)6-7-13(5)17-14-15(19)18(9-8-16-14)10-12(3)4/h8-9,11-13H,6-7,10H2,1-5H3,(H,16,17)
InChIKeyXXQCGDABTBPMSB-UHFFFAOYSA-N
XLogP3.14
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(5-methylhexan-2-ylamino)-1-(2-methylpropyl)pyrazin-2-one?
The IUPAC name of 3-(5-methylhexan-2-ylamino)-1-(2-methylpropyl)pyrazin-2-one (CID 63926505) is 3-(5-methylhexan-2-ylamino)-1-(2-methylpropyl)pyrazin-2-one.
What is the SMILES notation for 3-(5-methylhexan-2-ylamino)-1-(2-methylpropyl)pyrazin-2-one?
The canonical SMILES for 3-(5-methylhexan-2-ylamino)-1-(2-methylpropyl)pyrazin-2-one is CC(C)CCC(C)Nc1nccn(CC(C)C)c1=O.
What is the InChIKey of 3-(5-methylhexan-2-ylamino)-1-(2-methylpropyl)pyrazin-2-one?
The InChIKey is XXQCGDABTBPMSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O/c1-11(2)6-7-13(5)17-14-15(19)18(9-8-16-14)10-12(3)4/h8-9,11-13H,6-7,10H2,1-5H3,(H,16,17).
What are the key properties of 3-(5-methylhexan-2-ylamino)-1-(2-methylpropyl)pyrazin-2-one?
3-(5-methylhexan-2-ylamino)-1-(2-methylpropyl)pyrazin-2-one has a molecular weight of 265.40 g/mol, XLogP of 3.14, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-methylhexan-2-ylamino)-1-(2-methylpropyl)pyrazin-2-one is sourced from PubChem (CID 63926505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).