N-(2,2-difluoroethyl)-5,6-dimethyl-N-pyridazin-4-ylpyrazine-2-carboxamide

C13H13F2N5O — CID 53477287

IUPACN-(2,2-difluoroethyl)-5,6-dimethyl-N-pyridazin-4-ylpyrazine-2-carboxamide
SMILESCc1ncc(C(=O)N(CC(F)F)c2ccnnc2)nc1C
InChIInChI=1S/C13H13F2N5O/c1-8-9(2)19-11(6-16-8)13(21)20(7-12(14)15)10-3-4-17-18-5-10/h3-6,12H,7H2,1-2H3
InChIKeyXFJHTZUJVIEPSR-UHFFFAOYSA-N
MW293.28 g/mol
LogP1.80
Rot. Bonds4

About N-(2,2-difluoroethyl)-5,6-dimethyl-N-pyridazin-4-ylpyrazine-2-carboxamide

N-(2,2-difluoroethyl)-5,6-dimethyl-N-pyridazin-4-ylpyrazine-2-carboxamide (PubChem CID 53477287) has the molecular formula C13H13F2N5O and a molecular weight of 293.28 g/mol. Its IUPAC name is N-(2,2-difluoroethyl)-5,6-dimethyl-N-pyridazin-4-ylpyrazine-2-carboxamide.

Molecular Properties

Compound NameN-(2,2-difluoroethyl)-5,6-dimethyl-N-pyridazin-4-ylpyrazine-2-carboxamide
PubChem CID53477287
Molecular FormulaC13H13F2N5O
Molecular Weight293.28 g/mol
Exact Mass293.11
IUPAC NameN-(2,2-difluoroethyl)-5,6-dimethyl-N-pyridazin-4-ylpyrazine-2-carboxamide
SMILESCc1ncc(C(=O)N(CC(F)F)c2ccnnc2)nc1C
InChIInChI=1S/C13H13F2N5O/c1-8-9(2)19-11(6-16-8)13(21)20(7-12(14)15)10-3-4-17-18-5-10/h3-6,12H,7H2,1-2H3
InChIKeyXFJHTZUJVIEPSR-UHFFFAOYSA-N
XLogP1.80
TPSA71.87 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.28
LogP ≤ 51.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze N-(2,2-difluoroethyl)-5,6-dimethyl-N-pyridazin-4-ylpyrazine-2-carboxamide 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 N-(2,2-difluoroethyl)-5,6-dimethyl-N-pyridazin-4-ylpyrazine-2-carboxamide?
The IUPAC name of N-(2,2-difluoroethyl)-5,6-dimethyl-N-pyridazin-4-ylpyrazine-2-carboxamide (CID 53477287) is N-(2,2-difluoroethyl)-5,6-dimethyl-N-pyridazin-4-ylpyrazine-2-carboxamide.
What is the SMILES notation for N-(2,2-difluoroethyl)-5,6-dimethyl-N-pyridazin-4-ylpyrazine-2-carboxamide?
The canonical SMILES for N-(2,2-difluoroethyl)-5,6-dimethyl-N-pyridazin-4-ylpyrazine-2-carboxamide is Cc1ncc(C(=O)N(CC(F)F)c2ccnnc2)nc1C.
What is the InChIKey of N-(2,2-difluoroethyl)-5,6-dimethyl-N-pyridazin-4-ylpyrazine-2-carboxamide?
The InChIKey is XFJHTZUJVIEPSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13F2N5O/c1-8-9(2)19-11(6-16-8)13(21)20(7-12(14)15)10-3-4-17-18-5-10/h3-6,12H,7H2,1-2H3.
What are the key properties of N-(2,2-difluoroethyl)-5,6-dimethyl-N-pyridazin-4-ylpyrazine-2-carboxamide?
N-(2,2-difluoroethyl)-5,6-dimethyl-N-pyridazin-4-ylpyrazine-2-carboxamide has a molecular weight of 293.28 g/mol, XLogP of 1.80, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-difluoroethyl)-5,6-dimethyl-N-pyridazin-4-ylpyrazine-2-carboxamide is sourced from PubChem (CID 53477287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).