3-[2-(dimethylamino)propylamino]-1-propylpyrazin-2-one

C12H22N4O — CID 55154879

IUPAC3-[2-(dimethylamino)propylamino]-1-propylpyrazin-2-one
SMILESCCCn1ccnc(NCC(C)N(C)C)c1=O
InChIInChI=1S/C12H22N4O/c1-5-7-16-8-6-13-11(12(16)17)14-9-10(2)15(3)4/h6,8,10H,5,7,9H2,1-4H3,(H,13,14)
InChIKeyVGMXYXNZWDZWLF-UHFFFAOYSA-N
MW238.33 g/mol
LogP1.02
Rot. Bonds6

About 3-[2-(dimethylamino)propylamino]-1-propylpyrazin-2-one

3-[2-(dimethylamino)propylamino]-1-propylpyrazin-2-one (PubChem CID 55154879) has the molecular formula C12H22N4O and a molecular weight of 238.33 g/mol. Its IUPAC name is 3-[2-(dimethylamino)propylamino]-1-propylpyrazin-2-one.

Molecular Properties

Compound Name3-[2-(dimethylamino)propylamino]-1-propylpyrazin-2-one
PubChem CID55154879
Molecular FormulaC12H22N4O
Molecular Weight238.33 g/mol
Exact Mass238.18
IUPAC Name3-[2-(dimethylamino)propylamino]-1-propylpyrazin-2-one
SMILESCCCn1ccnc(NCC(C)N(C)C)c1=O
InChIInChI=1S/C12H22N4O/c1-5-7-16-8-6-13-11(12(16)17)14-9-10(2)15(3)4/h6,8,10H,5,7,9H2,1-4H3,(H,13,14)
InChIKeyVGMXYXNZWDZWLF-UHFFFAOYSA-N
XLogP1.02
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(dimethylamino)propylamino]-1-propylpyrazin-2-one?
The IUPAC name of 3-[2-(dimethylamino)propylamino]-1-propylpyrazin-2-one (CID 55154879) is 3-[2-(dimethylamino)propylamino]-1-propylpyrazin-2-one.
What is the SMILES notation for 3-[2-(dimethylamino)propylamino]-1-propylpyrazin-2-one?
The canonical SMILES for 3-[2-(dimethylamino)propylamino]-1-propylpyrazin-2-one is CCCn1ccnc(NCC(C)N(C)C)c1=O.
What is the InChIKey of 3-[2-(dimethylamino)propylamino]-1-propylpyrazin-2-one?
The InChIKey is VGMXYXNZWDZWLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O/c1-5-7-16-8-6-13-11(12(16)17)14-9-10(2)15(3)4/h6,8,10H,5,7,9H2,1-4H3,(H,13,14).
What are the key properties of 3-[2-(dimethylamino)propylamino]-1-propylpyrazin-2-one?
3-[2-(dimethylamino)propylamino]-1-propylpyrazin-2-one has a molecular weight of 238.33 g/mol, XLogP of 1.02, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(dimethylamino)propylamino]-1-propylpyrazin-2-one is sourced from PubChem (CID 55154879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).