1-(cyclohexylmethyl)-6-iodo-5-methyl-3-(propylamino)pyrazin-2-one

C15H24IN3O — CID 143411063

IUPAC1-(cyclohexylmethyl)-6-iodo-5-methyl-3-(propylamino)pyrazin-2-one
SMILESCCCNc1nc(C)c(I)n(CC2CCCCC2)c1=O
InChIInChI=1S/C15H24IN3O/c1-3-9-17-14-15(20)19(13(16)11(2)18-14)10-12-7-5-4-6-8-12/h12H,3-10H2,1-2H3,(H,17,18)
InChIKeyYBIXRQMMSUZTHK-UHFFFAOYSA-N
MW389.28 g/mol
LogP3.56
Rot. Bonds5

About 1-(cyclohexylmethyl)-6-iodo-5-methyl-3-(propylamino)pyrazin-2-one

1-(cyclohexylmethyl)-6-iodo-5-methyl-3-(propylamino)pyrazin-2-one (PubChem CID 143411063) has the molecular formula C15H24IN3O and a molecular weight of 389.28 g/mol. Its IUPAC name is 1-(cyclohexylmethyl)-6-iodo-5-methyl-3-(propylamino)pyrazin-2-one.

Molecular Properties

Compound Name1-(cyclohexylmethyl)-6-iodo-5-methyl-3-(propylamino)pyrazin-2-one
PubChem CID143411063
Molecular FormulaC15H24IN3O
Molecular Weight389.28 g/mol
Exact Mass389.10
IUPAC Name1-(cyclohexylmethyl)-6-iodo-5-methyl-3-(propylamino)pyrazin-2-one
SMILESCCCNc1nc(C)c(I)n(CC2CCCCC2)c1=O
InChIInChI=1S/C15H24IN3O/c1-3-9-17-14-15(20)19(13(16)11(2)18-14)10-12-7-5-4-6-8-12/h12H,3-10H2,1-2H3,(H,17,18)
InChIKeyYBIXRQMMSUZTHK-UHFFFAOYSA-N
XLogP3.56
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.28
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(cyclohexylmethyl)-6-iodo-5-methyl-3-(propylamino)pyrazin-2-one?
The IUPAC name of 1-(cyclohexylmethyl)-6-iodo-5-methyl-3-(propylamino)pyrazin-2-one (CID 143411063) is 1-(cyclohexylmethyl)-6-iodo-5-methyl-3-(propylamino)pyrazin-2-one.
What is the SMILES notation for 1-(cyclohexylmethyl)-6-iodo-5-methyl-3-(propylamino)pyrazin-2-one?
The canonical SMILES for 1-(cyclohexylmethyl)-6-iodo-5-methyl-3-(propylamino)pyrazin-2-one is CCCNc1nc(C)c(I)n(CC2CCCCC2)c1=O.
What is the InChIKey of 1-(cyclohexylmethyl)-6-iodo-5-methyl-3-(propylamino)pyrazin-2-one?
The InChIKey is YBIXRQMMSUZTHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24IN3O/c1-3-9-17-14-15(20)19(13(16)11(2)18-14)10-12-7-5-4-6-8-12/h12H,3-10H2,1-2H3,(H,17,18).
What are the key properties of 1-(cyclohexylmethyl)-6-iodo-5-methyl-3-(propylamino)pyrazin-2-one?
1-(cyclohexylmethyl)-6-iodo-5-methyl-3-(propylamino)pyrazin-2-one has a molecular weight of 389.28 g/mol, XLogP of 3.56, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclohexylmethyl)-6-iodo-5-methyl-3-(propylamino)pyrazin-2-one is sourced from PubChem (CID 143411063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).