1-cyclopropyl-3-[methyl-[(1-phenylcyclopropyl)methyl]amino]pyrazin-2-one

C18H21N3O — CID 133499393

IUPAC1-cyclopropyl-3-[methyl-[(1-phenylcyclopropyl)methyl]amino]pyrazin-2-one
SMILESCN(CC1(c2ccccc2)CC1)c1nccn(C2CC2)c1=O
InChIInChI=1S/C18H21N3O/c1-20(13-18(9-10-18)14-5-3-2-4-6-14)16-17(22)21(12-11-19-16)15-7-8-15/h2-6,11-12,15H,7-10,13H2,1H3
InChIKeyHDPNHNKNAXDYNS-UHFFFAOYSA-N
MW295.39 g/mol
LogP2.75
Rot. Bonds5

About 1-cyclopropyl-3-[methyl-[(1-phenylcyclopropyl)methyl]amino]pyrazin-2-one

1-cyclopropyl-3-[methyl-[(1-phenylcyclopropyl)methyl]amino]pyrazin-2-one (PubChem CID 133499393) has the molecular formula C18H21N3O and a molecular weight of 295.39 g/mol. Its IUPAC name is 1-cyclopropyl-3-[methyl-[(1-phenylcyclopropyl)methyl]amino]pyrazin-2-one.

Molecular Properties

Compound Name1-cyclopropyl-3-[methyl-[(1-phenylcyclopropyl)methyl]amino]pyrazin-2-one
PubChem CID133499393
Molecular FormulaC18H21N3O
Molecular Weight295.39 g/mol
Exact Mass295.17
IUPAC Name1-cyclopropyl-3-[methyl-[(1-phenylcyclopropyl)methyl]amino]pyrazin-2-one
SMILESCN(CC1(c2ccccc2)CC1)c1nccn(C2CC2)c1=O
InChIInChI=1S/C18H21N3O/c1-20(13-18(9-10-18)14-5-3-2-4-6-14)16-17(22)21(12-11-19-16)15-7-8-15/h2-6,11-12,15H,7-10,13H2,1H3
InChIKeyHDPNHNKNAXDYNS-UHFFFAOYSA-N
XLogP2.75
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.39
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-cyclopropyl-3-[methyl-[(1-phenylcyclopropyl)methyl]amino]pyrazin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-3-[methyl-[(1-phenylcyclopropyl)methyl]amino]pyrazin-2-one?
The IUPAC name of 1-cyclopropyl-3-[methyl-[(1-phenylcyclopropyl)methyl]amino]pyrazin-2-one (CID 133499393) is 1-cyclopropyl-3-[methyl-[(1-phenylcyclopropyl)methyl]amino]pyrazin-2-one.
What is the SMILES notation for 1-cyclopropyl-3-[methyl-[(1-phenylcyclopropyl)methyl]amino]pyrazin-2-one?
The canonical SMILES for 1-cyclopropyl-3-[methyl-[(1-phenylcyclopropyl)methyl]amino]pyrazin-2-one is CN(CC1(c2ccccc2)CC1)c1nccn(C2CC2)c1=O.
What is the InChIKey of 1-cyclopropyl-3-[methyl-[(1-phenylcyclopropyl)methyl]amino]pyrazin-2-one?
The InChIKey is HDPNHNKNAXDYNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O/c1-20(13-18(9-10-18)14-5-3-2-4-6-14)16-17(22)21(12-11-19-16)15-7-8-15/h2-6,11-12,15H,7-10,13H2,1H3.
What are the key properties of 1-cyclopropyl-3-[methyl-[(1-phenylcyclopropyl)methyl]amino]pyrazin-2-one?
1-cyclopropyl-3-[methyl-[(1-phenylcyclopropyl)methyl]amino]pyrazin-2-one has a molecular weight of 295.39 g/mol, XLogP of 2.75, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-3-[methyl-[(1-phenylcyclopropyl)methyl]amino]pyrazin-2-one is sourced from PubChem (CID 133499393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).