1-(cyclopropylmethyl)-4-(3,4-difluorophenyl)pyrazine-2,3-dione

C14H12F2N2O2 — CID 163346803

IUPAC1-(cyclopropylmethyl)-4-(3,4-difluorophenyl)pyrazine-2,3-dione
SMILESO=c1c(=O)n(-c2ccc(F)c(F)c2)ccn1CC1CC1
InChIInChI=1S/C14H12F2N2O2/c15-11-4-3-10(7-12(11)16)18-6-5-17(8-9-1-2-9)13(19)14(18)20/h3-7,9H,1-2,8H2
InChIKeyUNAJATGGMMJGOZ-UHFFFAOYSA-N
MW278.26 g/mol
LogP1.69
Rot. Bonds3

About 1-(cyclopropylmethyl)-4-(3,4-difluorophenyl)pyrazine-2,3-dione

1-(cyclopropylmethyl)-4-(3,4-difluorophenyl)pyrazine-2,3-dione (PubChem CID 163346803) has the molecular formula C14H12F2N2O2 and a molecular weight of 278.26 g/mol. Its IUPAC name is 1-(cyclopropylmethyl)-4-(3,4-difluorophenyl)pyrazine-2,3-dione.

Molecular Properties

Compound Name1-(cyclopropylmethyl)-4-(3,4-difluorophenyl)pyrazine-2,3-dione
PubChem CID163346803
Molecular FormulaC14H12F2N2O2
Molecular Weight278.26 g/mol
Exact Mass278.09
IUPAC Name1-(cyclopropylmethyl)-4-(3,4-difluorophenyl)pyrazine-2,3-dione
SMILESO=c1c(=O)n(-c2ccc(F)c(F)c2)ccn1CC1CC1
InChIInChI=1S/C14H12F2N2O2/c15-11-4-3-10(7-12(11)16)18-6-5-17(8-9-1-2-9)13(19)14(18)20/h3-7,9H,1-2,8H2
InChIKeyUNAJATGGMMJGOZ-UHFFFAOYSA-N
XLogP1.69
TPSA44.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.26
LogP ≤ 51.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1-(cyclopropylmethyl)-4-(3,4-difluorophenyl)pyrazine-2,3-dione 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-(cyclopropylmethyl)-4-(3,4-difluorophenyl)pyrazine-2,3-dione?
The IUPAC name of 1-(cyclopropylmethyl)-4-(3,4-difluorophenyl)pyrazine-2,3-dione (CID 163346803) is 1-(cyclopropylmethyl)-4-(3,4-difluorophenyl)pyrazine-2,3-dione.
What is the SMILES notation for 1-(cyclopropylmethyl)-4-(3,4-difluorophenyl)pyrazine-2,3-dione?
The canonical SMILES for 1-(cyclopropylmethyl)-4-(3,4-difluorophenyl)pyrazine-2,3-dione is O=c1c(=O)n(-c2ccc(F)c(F)c2)ccn1CC1CC1.
What is the InChIKey of 1-(cyclopropylmethyl)-4-(3,4-difluorophenyl)pyrazine-2,3-dione?
The InChIKey is UNAJATGGMMJGOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12F2N2O2/c15-11-4-3-10(7-12(11)16)18-6-5-17(8-9-1-2-9)13(19)14(18)20/h3-7,9H,1-2,8H2.
What are the key properties of 1-(cyclopropylmethyl)-4-(3,4-difluorophenyl)pyrazine-2,3-dione?
1-(cyclopropylmethyl)-4-(3,4-difluorophenyl)pyrazine-2,3-dione has a molecular weight of 278.26 g/mol, XLogP of 1.69, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopropylmethyl)-4-(3,4-difluorophenyl)pyrazine-2,3-dione is sourced from PubChem (CID 163346803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).