3-[(1-methylcyclopentyl)methylamino]-1-propylpyrazin-2-one

C14H23N3O — CID 63830300

IUPAC3-[(1-methylcyclopentyl)methylamino]-1-propylpyrazin-2-one
SMILESCCCn1ccnc(NCC2(C)CCCC2)c1=O
InChIInChI=1S/C14H23N3O/c1-3-9-17-10-8-15-12(13(17)18)16-11-14(2)6-4-5-7-14/h8,10H,3-7,9,11H2,1-2H3,(H,15,16)
InChIKeyIMIWJEVUATXFNT-UHFFFAOYSA-N
MW249.36 g/mol
LogP2.65
Rot. Bonds5

About 3-[(1-methylcyclopentyl)methylamino]-1-propylpyrazin-2-one

3-[(1-methylcyclopentyl)methylamino]-1-propylpyrazin-2-one (PubChem CID 63830300) has the molecular formula C14H23N3O and a molecular weight of 249.36 g/mol. Its IUPAC name is 3-[(1-methylcyclopentyl)methylamino]-1-propylpyrazin-2-one.

Molecular Properties

Compound Name3-[(1-methylcyclopentyl)methylamino]-1-propylpyrazin-2-one
PubChem CID63830300
Molecular FormulaC14H23N3O
Molecular Weight249.36 g/mol
Exact Mass249.18
IUPAC Name3-[(1-methylcyclopentyl)methylamino]-1-propylpyrazin-2-one
SMILESCCCn1ccnc(NCC2(C)CCCC2)c1=O
InChIInChI=1S/C14H23N3O/c1-3-9-17-10-8-15-12(13(17)18)16-11-14(2)6-4-5-7-14/h8,10H,3-7,9,11H2,1-2H3,(H,15,16)
InChIKeyIMIWJEVUATXFNT-UHFFFAOYSA-N
XLogP2.65
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[(1-methylcyclopentyl)methylamino]-1-propylpyrazin-2-one?
The IUPAC name of 3-[(1-methylcyclopentyl)methylamino]-1-propylpyrazin-2-one (CID 63830300) is 3-[(1-methylcyclopentyl)methylamino]-1-propylpyrazin-2-one.
What is the SMILES notation for 3-[(1-methylcyclopentyl)methylamino]-1-propylpyrazin-2-one?
The canonical SMILES for 3-[(1-methylcyclopentyl)methylamino]-1-propylpyrazin-2-one is CCCn1ccnc(NCC2(C)CCCC2)c1=O.
What is the InChIKey of 3-[(1-methylcyclopentyl)methylamino]-1-propylpyrazin-2-one?
The InChIKey is IMIWJEVUATXFNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O/c1-3-9-17-10-8-15-12(13(17)18)16-11-14(2)6-4-5-7-14/h8,10H,3-7,9,11H2,1-2H3,(H,15,16).
What are the key properties of 3-[(1-methylcyclopentyl)methylamino]-1-propylpyrazin-2-one?
3-[(1-methylcyclopentyl)methylamino]-1-propylpyrazin-2-one has a molecular weight of 249.36 g/mol, XLogP of 2.65, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1-methylcyclopentyl)methylamino]-1-propylpyrazin-2-one is sourced from PubChem (CID 63830300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).