1-cyclopropyl-3-[(3,5-dimethylcyclohexyl)amino]pyrazin-2-one

C15H23N3O — CID 64732893

IUPAC1-cyclopropyl-3-[(3,5-dimethylcyclohexyl)amino]pyrazin-2-one
SMILESCC1CC(C)CC(Nc2nccn(C3CC3)c2=O)C1
InChIInChI=1S/C15H23N3O/c1-10-7-11(2)9-12(8-10)17-14-15(19)18(6-5-16-14)13-3-4-13/h5-6,10-13H,3-4,7-9H2,1-2H3,(H,16,17)
InChIKeyWGJAZKWUGCZPNJ-UHFFFAOYSA-N
MW261.37 g/mol
LogP2.81
Rot. Bonds3

About 1-cyclopropyl-3-[(3,5-dimethylcyclohexyl)amino]pyrazin-2-one

1-cyclopropyl-3-[(3,5-dimethylcyclohexyl)amino]pyrazin-2-one (PubChem CID 64732893) has the molecular formula C15H23N3O and a molecular weight of 261.37 g/mol. Its IUPAC name is 1-cyclopropyl-3-[(3,5-dimethylcyclohexyl)amino]pyrazin-2-one.

Molecular Properties

Compound Name1-cyclopropyl-3-[(3,5-dimethylcyclohexyl)amino]pyrazin-2-one
PubChem CID64732893
Molecular FormulaC15H23N3O
Molecular Weight261.37 g/mol
Exact Mass261.18
IUPAC Name1-cyclopropyl-3-[(3,5-dimethylcyclohexyl)amino]pyrazin-2-one
SMILESCC1CC(C)CC(Nc2nccn(C3CC3)c2=O)C1
InChIInChI=1S/C15H23N3O/c1-10-7-11(2)9-12(8-10)17-14-15(19)18(6-5-16-14)13-3-4-13/h5-6,10-13H,3-4,7-9H2,1-2H3,(H,16,17)
InChIKeyWGJAZKWUGCZPNJ-UHFFFAOYSA-N
XLogP2.81
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-3-[(3,5-dimethylcyclohexyl)amino]pyrazin-2-one?
The IUPAC name of 1-cyclopropyl-3-[(3,5-dimethylcyclohexyl)amino]pyrazin-2-one (CID 64732893) is 1-cyclopropyl-3-[(3,5-dimethylcyclohexyl)amino]pyrazin-2-one.
What is the SMILES notation for 1-cyclopropyl-3-[(3,5-dimethylcyclohexyl)amino]pyrazin-2-one?
The canonical SMILES for 1-cyclopropyl-3-[(3,5-dimethylcyclohexyl)amino]pyrazin-2-one is CC1CC(C)CC(Nc2nccn(C3CC3)c2=O)C1.
What is the InChIKey of 1-cyclopropyl-3-[(3,5-dimethylcyclohexyl)amino]pyrazin-2-one?
The InChIKey is WGJAZKWUGCZPNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O/c1-10-7-11(2)9-12(8-10)17-14-15(19)18(6-5-16-14)13-3-4-13/h5-6,10-13H,3-4,7-9H2,1-2H3,(H,16,17).
What are the key properties of 1-cyclopropyl-3-[(3,5-dimethylcyclohexyl)amino]pyrazin-2-one?
1-cyclopropyl-3-[(3,5-dimethylcyclohexyl)amino]pyrazin-2-one has a molecular weight of 261.37 g/mol, XLogP of 2.81, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-3-[(3,5-dimethylcyclohexyl)amino]pyrazin-2-one is sourced from PubChem (CID 64732893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).