1-cyclopropyl-3-(5-methylhexylamino)pyrazin-2-one

C14H23N3O — CID 115326088

IUPAC1-cyclopropyl-3-(5-methylhexylamino)pyrazin-2-one
SMILESCC(C)CCCCNc1nccn(C2CC2)c1=O
InChIInChI=1S/C14H23N3O/c1-11(2)5-3-4-8-15-13-14(18)17(10-9-16-13)12-6-7-12/h9-12H,3-8H2,1-2H3,(H,15,16)
InChIKeyDWFFDEWLQVPDAR-UHFFFAOYSA-N
MW249.36 g/mol
LogP2.82
Rot. Bonds7

About 1-cyclopropyl-3-(5-methylhexylamino)pyrazin-2-one

1-cyclopropyl-3-(5-methylhexylamino)pyrazin-2-one (PubChem CID 115326088) has the molecular formula C14H23N3O and a molecular weight of 249.36 g/mol. Its IUPAC name is 1-cyclopropyl-3-(5-methylhexylamino)pyrazin-2-one.

Molecular Properties

Compound Name1-cyclopropyl-3-(5-methylhexylamino)pyrazin-2-one
PubChem CID115326088
Molecular FormulaC14H23N3O
Molecular Weight249.36 g/mol
Exact Mass249.18
IUPAC Name1-cyclopropyl-3-(5-methylhexylamino)pyrazin-2-one
SMILESCC(C)CCCCNc1nccn(C2CC2)c1=O
InChIInChI=1S/C14H23N3O/c1-11(2)5-3-4-8-15-13-14(18)17(10-9-16-13)12-6-7-12/h9-12H,3-8H2,1-2H3,(H,15,16)
InChIKeyDWFFDEWLQVPDAR-UHFFFAOYSA-N
XLogP2.82
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-3-(5-methylhexylamino)pyrazin-2-one?
The IUPAC name of 1-cyclopropyl-3-(5-methylhexylamino)pyrazin-2-one (CID 115326088) is 1-cyclopropyl-3-(5-methylhexylamino)pyrazin-2-one.
What is the SMILES notation for 1-cyclopropyl-3-(5-methylhexylamino)pyrazin-2-one?
The canonical SMILES for 1-cyclopropyl-3-(5-methylhexylamino)pyrazin-2-one is CC(C)CCCCNc1nccn(C2CC2)c1=O.
What is the InChIKey of 1-cyclopropyl-3-(5-methylhexylamino)pyrazin-2-one?
The InChIKey is DWFFDEWLQVPDAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O/c1-11(2)5-3-4-8-15-13-14(18)17(10-9-16-13)12-6-7-12/h9-12H,3-8H2,1-2H3,(H,15,16).
What are the key properties of 1-cyclopropyl-3-(5-methylhexylamino)pyrazin-2-one?
1-cyclopropyl-3-(5-methylhexylamino)pyrazin-2-one has a molecular weight of 249.36 g/mol, XLogP of 2.82, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-3-(5-methylhexylamino)pyrazin-2-one is sourced from PubChem (CID 115326088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).