1-cyclopropyl-3-(hexan-2-ylamino)pyrazin-2-one

C13H21N3O — CID 62927586

IUPAC1-cyclopropyl-3-(hexan-2-ylamino)pyrazin-2-one
SMILESCCCCC(C)Nc1nccn(C2CC2)c1=O
InChIInChI=1S/C13H21N3O/c1-3-4-5-10(2)15-12-13(17)16(9-8-14-12)11-6-7-11/h8-11H,3-7H2,1-2H3,(H,14,15)
InChIKeyAYEPJFGXLSUFPG-UHFFFAOYSA-N
MW235.33 g/mol
LogP2.57
Rot. Bonds6

About 1-cyclopropyl-3-(hexan-2-ylamino)pyrazin-2-one

1-cyclopropyl-3-(hexan-2-ylamino)pyrazin-2-one (PubChem CID 62927586) has the molecular formula C13H21N3O and a molecular weight of 235.33 g/mol. Its IUPAC name is 1-cyclopropyl-3-(hexan-2-ylamino)pyrazin-2-one.

Molecular Properties

Compound Name1-cyclopropyl-3-(hexan-2-ylamino)pyrazin-2-one
PubChem CID62927586
Molecular FormulaC13H21N3O
Molecular Weight235.33 g/mol
Exact Mass235.17
IUPAC Name1-cyclopropyl-3-(hexan-2-ylamino)pyrazin-2-one
SMILESCCCCC(C)Nc1nccn(C2CC2)c1=O
InChIInChI=1S/C13H21N3O/c1-3-4-5-10(2)15-12-13(17)16(9-8-14-12)11-6-7-11/h8-11H,3-7H2,1-2H3,(H,14,15)
InChIKeyAYEPJFGXLSUFPG-UHFFFAOYSA-N
XLogP2.57
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-3-(hexan-2-ylamino)pyrazin-2-one?
The IUPAC name of 1-cyclopropyl-3-(hexan-2-ylamino)pyrazin-2-one (CID 62927586) is 1-cyclopropyl-3-(hexan-2-ylamino)pyrazin-2-one.
What is the SMILES notation for 1-cyclopropyl-3-(hexan-2-ylamino)pyrazin-2-one?
The canonical SMILES for 1-cyclopropyl-3-(hexan-2-ylamino)pyrazin-2-one is CCCCC(C)Nc1nccn(C2CC2)c1=O.
What is the InChIKey of 1-cyclopropyl-3-(hexan-2-ylamino)pyrazin-2-one?
The InChIKey is AYEPJFGXLSUFPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O/c1-3-4-5-10(2)15-12-13(17)16(9-8-14-12)11-6-7-11/h8-11H,3-7H2,1-2H3,(H,14,15).
What are the key properties of 1-cyclopropyl-3-(hexan-2-ylamino)pyrazin-2-one?
1-cyclopropyl-3-(hexan-2-ylamino)pyrazin-2-one has a molecular weight of 235.33 g/mol, XLogP of 2.57, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-3-(hexan-2-ylamino)pyrazin-2-one is sourced from PubChem (CID 62927586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).