3-[2-(dimethylamino)propylamino]-1-(2-methylpropyl)pyrazin-2-one

C13H24N4O — CID 62938830

IUPAC3-[2-(dimethylamino)propylamino]-1-(2-methylpropyl)pyrazin-2-one
SMILESCC(C)Cn1ccnc(NCC(C)N(C)C)c1=O
InChIInChI=1S/C13H24N4O/c1-10(2)9-17-7-6-14-12(13(17)18)15-8-11(3)16(4)5/h6-7,10-11H,8-9H2,1-5H3,(H,14,15)
InChIKeyWCJZAKHJUDHVLZ-UHFFFAOYSA-N
MW252.36 g/mol
LogP1.26
Rot. Bonds6

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

3-[2-(dimethylamino)propylamino]-1-(2-methylpropyl)pyrazin-2-one (PubChem CID 62938830) has the molecular formula C13H24N4O and a molecular weight of 252.36 g/mol. Its IUPAC name is 3-[2-(dimethylamino)propylamino]-1-(2-methylpropyl)pyrazin-2-one.

Molecular Properties

Compound Name3-[2-(dimethylamino)propylamino]-1-(2-methylpropyl)pyrazin-2-one
PubChem CID62938830
Molecular FormulaC13H24N4O
Molecular Weight252.36 g/mol
Exact Mass252.20
IUPAC Name3-[2-(dimethylamino)propylamino]-1-(2-methylpropyl)pyrazin-2-one
SMILESCC(C)Cn1ccnc(NCC(C)N(C)C)c1=O
InChIInChI=1S/C13H24N4O/c1-10(2)9-17-7-6-14-12(13(17)18)15-8-11(3)16(4)5/h6-7,10-11H,8-9H2,1-5H3,(H,14,15)
InChIKeyWCJZAKHJUDHVLZ-UHFFFAOYSA-N
XLogP1.26
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[[2-(dimethylamino)-2-methylpropyl]amino]-1-(2-methylpropyl)pyrazin-2-one
CID 55156417
3-[(3-chloro-2-methylpropyl)amino]-1-(2-methylpropyl)pyrazin-2-one
CID 65037499
3-[[2-methyl-3-(methylamino)propyl]amino]-1-(2-methylpropyl)pyrazin-2-one
CID 113282618
3-[(3-methoxy-2-methylpropyl)amino]-1-(2-methylpropyl)pyrazin-2-one
CID 62929149
3-[(4-amino-2-methylbutyl)amino]-1-(2-methylpropyl)pyrazin-2-one
CID 66089767
1-(2-methylpropyl)-3-(pentylamino)pyrazin-2-one
CID 62940519
3-[[3-(dimethylamino)-2,2-dimethylpropyl]amino]-1-(2-methylpropyl)pyrazin-2-one
CID 62939654
3-[2-(methylamino)ethylamino]-1-(2-methylpropyl)pyrazin-2-one
CID 62927277
3-(butan-2-ylamino)-1-(2-methylpropyl)pyrazin-2-one
CID 62939478
3-(cyclopropylmethylamino)-1-(2-methylpropyl)pyrazin-2-one
CID 62938956
3-(7-methyloctylamino)-1-(2-methylpropyl)pyrazin-2-one
CID 107816214
3-[(3-hydroxy-2,3-dimethylbutan-2-yl)amino]-1-(2-methylpropyl)pyrazin-2-one
CID 106185827

Frequently Asked Questions

What is the IUPAC name of 3-[2-(dimethylamino)propylamino]-1-(2-methylpropyl)pyrazin-2-one?
The IUPAC name of 3-[2-(dimethylamino)propylamino]-1-(2-methylpropyl)pyrazin-2-one (CID 62938830) is 3-[2-(dimethylamino)propylamino]-1-(2-methylpropyl)pyrazin-2-one.
What is the SMILES notation for 3-[2-(dimethylamino)propylamino]-1-(2-methylpropyl)pyrazin-2-one?
The canonical SMILES for 3-[2-(dimethylamino)propylamino]-1-(2-methylpropyl)pyrazin-2-one is CC(C)Cn1ccnc(NCC(C)N(C)C)c1=O.
What is the InChIKey of 3-[2-(dimethylamino)propylamino]-1-(2-methylpropyl)pyrazin-2-one?
The InChIKey is WCJZAKHJUDHVLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4O/c1-10(2)9-17-7-6-14-12(13(17)18)15-8-11(3)16(4)5/h6-7,10-11H,8-9H2,1-5H3,(H,14,15).
What are the key properties of 3-[2-(dimethylamino)propylamino]-1-(2-methylpropyl)pyrazin-2-one?
3-[2-(dimethylamino)propylamino]-1-(2-methylpropyl)pyrazin-2-one has a molecular weight of 252.36 g/mol, XLogP of 1.26, 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-(2-methylpropyl)pyrazin-2-one is sourced from PubChem (CID 62938830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).