1-cyclopropyl-3-(pentylamino)pyrazin-2-one

C12H19N3O — CID 62940345

IUPAC1-cyclopropyl-3-(pentylamino)pyrazin-2-one
SMILESCCCCCNc1nccn(C2CC2)c1=O
InChIInChI=1S/C12H19N3O/c1-2-3-4-7-13-11-12(16)15(9-8-14-11)10-5-6-10/h8-10H,2-7H2,1H3,(H,13,14)
InChIKeyUPGJVICEYWZTEM-UHFFFAOYSA-N
MW221.30 g/mol
LogP2.18
Rot. Bonds6

About 1-cyclopropyl-3-(pentylamino)pyrazin-2-one

1-cyclopropyl-3-(pentylamino)pyrazin-2-one (PubChem CID 62940345) has the molecular formula C12H19N3O and a molecular weight of 221.30 g/mol. Its IUPAC name is 1-cyclopropyl-3-(pentylamino)pyrazin-2-one.

Molecular Properties

Compound Name1-cyclopropyl-3-(pentylamino)pyrazin-2-one
PubChem CID62940345
Molecular FormulaC12H19N3O
Molecular Weight221.30 g/mol
Exact Mass221.15
IUPAC Name1-cyclopropyl-3-(pentylamino)pyrazin-2-one
SMILESCCCCCNc1nccn(C2CC2)c1=O
InChIInChI=1S/C12H19N3O/c1-2-3-4-7-13-11-12(16)15(9-8-14-11)10-5-6-10/h8-10H,2-7H2,1H3,(H,13,14)
InChIKeyUPGJVICEYWZTEM-UHFFFAOYSA-N
XLogP2.18
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 52.18
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-(pentylamino)pyrazin-2-one?
The IUPAC name of 1-cyclopropyl-3-(pentylamino)pyrazin-2-one (CID 62940345) is 1-cyclopropyl-3-(pentylamino)pyrazin-2-one.
What is the SMILES notation for 1-cyclopropyl-3-(pentylamino)pyrazin-2-one?
The canonical SMILES for 1-cyclopropyl-3-(pentylamino)pyrazin-2-one is CCCCCNc1nccn(C2CC2)c1=O.
What is the InChIKey of 1-cyclopropyl-3-(pentylamino)pyrazin-2-one?
The InChIKey is UPGJVICEYWZTEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O/c1-2-3-4-7-13-11-12(16)15(9-8-14-11)10-5-6-10/h8-10H,2-7H2,1H3,(H,13,14).
What are the key properties of 1-cyclopropyl-3-(pentylamino)pyrazin-2-one?
1-cyclopropyl-3-(pentylamino)pyrazin-2-one has a molecular weight of 221.30 g/mol, XLogP of 2.18, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-3-(pentylamino)pyrazin-2-one is sourced from PubChem (CID 62940345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).