3-[[1-(dimethylamino)cyclopentyl]methylamino]-1-propan-2-ylpyrazin-2-one

C15H26N4O — CID 83113978

IUPAC3-[[1-(dimethylamino)cyclopentyl]methylamino]-1-propan-2-ylpyrazin-2-one
SMILESCC(C)n1ccnc(NCC2(N(C)C)CCCC2)c1=O
InChIInChI=1S/C15H26N4O/c1-12(2)19-10-9-16-13(14(19)20)17-11-15(18(3)4)7-5-6-8-15/h9-10,12H,5-8,11H2,1-4H3,(H,16,17)
InChIKeyJHXPUTNFBKBFDR-UHFFFAOYSA-N
MW278.40 g/mol
LogP2.11
Rot. Bonds5

About 3-[[1-(dimethylamino)cyclopentyl]methylamino]-1-propan-2-ylpyrazin-2-one

3-[[1-(dimethylamino)cyclopentyl]methylamino]-1-propan-2-ylpyrazin-2-one (PubChem CID 83113978) has the molecular formula C15H26N4O and a molecular weight of 278.40 g/mol. Its IUPAC name is 3-[[1-(dimethylamino)cyclopentyl]methylamino]-1-propan-2-ylpyrazin-2-one.

Molecular Properties

Compound Name3-[[1-(dimethylamino)cyclopentyl]methylamino]-1-propan-2-ylpyrazin-2-one
PubChem CID83113978
Molecular FormulaC15H26N4O
Molecular Weight278.40 g/mol
Exact Mass278.21
IUPAC Name3-[[1-(dimethylamino)cyclopentyl]methylamino]-1-propan-2-ylpyrazin-2-one
SMILESCC(C)n1ccnc(NCC2(N(C)C)CCCC2)c1=O
InChIInChI=1S/C15H26N4O/c1-12(2)19-10-9-16-13(14(19)20)17-11-15(18(3)4)7-5-6-8-15/h9-10,12H,5-8,11H2,1-4H3,(H,16,17)
InChIKeyJHXPUTNFBKBFDR-UHFFFAOYSA-N
XLogP2.11
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-[[1-(dimethylamino)cyclopentyl]methylamino]-1-propan-2-ylpyrazin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[[1-(dimethylamino)cyclopentyl]methylamino]-1-propan-2-ylpyrazin-2-one?
The IUPAC name of 3-[[1-(dimethylamino)cyclopentyl]methylamino]-1-propan-2-ylpyrazin-2-one (CID 83113978) is 3-[[1-(dimethylamino)cyclopentyl]methylamino]-1-propan-2-ylpyrazin-2-one.
What is the SMILES notation for 3-[[1-(dimethylamino)cyclopentyl]methylamino]-1-propan-2-ylpyrazin-2-one?
The canonical SMILES for 3-[[1-(dimethylamino)cyclopentyl]methylamino]-1-propan-2-ylpyrazin-2-one is CC(C)n1ccnc(NCC2(N(C)C)CCCC2)c1=O.
What is the InChIKey of 3-[[1-(dimethylamino)cyclopentyl]methylamino]-1-propan-2-ylpyrazin-2-one?
The InChIKey is JHXPUTNFBKBFDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4O/c1-12(2)19-10-9-16-13(14(19)20)17-11-15(18(3)4)7-5-6-8-15/h9-10,12H,5-8,11H2,1-4H3,(H,16,17).
What are the key properties of 3-[[1-(dimethylamino)cyclopentyl]methylamino]-1-propan-2-ylpyrazin-2-one?
3-[[1-(dimethylamino)cyclopentyl]methylamino]-1-propan-2-ylpyrazin-2-one has a molecular weight of 278.40 g/mol, XLogP of 2.11, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[1-(dimethylamino)cyclopentyl]methylamino]-1-propan-2-ylpyrazin-2-one is sourced from PubChem (CID 83113978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).