6-chloro-3-(2,2-difluoroethylamino)pyridazine-4-carboxamide

C7H7ClF2N4O — CID 133341388

IUPAC6-chloro-3-(2,2-difluoroethylamino)pyridazine-4-carboxamide
SMILESNC(=O)c1cc(Cl)nnc1NCC(F)F
InChIInChI=1S/C7H7ClF2N4O/c8-4-1-3(6(11)15)7(14-13-4)12-2-5(9)10/h1,5H,2H2,(H2,11,15)(H,12,14)
InChIKeyNEGMRAADDYOIFT-UHFFFAOYSA-N
MW236.61 g/mol
LogP0.91
Rot. Bonds4

About 6-chloro-3-(2,2-difluoroethylamino)pyridazine-4-carboxamide

6-chloro-3-(2,2-difluoroethylamino)pyridazine-4-carboxamide (PubChem CID 133341388) has the molecular formula C7H7ClF2N4O and a molecular weight of 236.61 g/mol. Its IUPAC name is 6-chloro-3-(2,2-difluoroethylamino)pyridazine-4-carboxamide.

Molecular Properties

Compound Name6-chloro-3-(2,2-difluoroethylamino)pyridazine-4-carboxamide
PubChem CID133341388
Molecular FormulaC7H7ClF2N4O
Molecular Weight236.61 g/mol
Exact Mass236.03
IUPAC Name6-chloro-3-(2,2-difluoroethylamino)pyridazine-4-carboxamide
SMILESNC(=O)c1cc(Cl)nnc1NCC(F)F
InChIInChI=1S/C7H7ClF2N4O/c8-4-1-3(6(11)15)7(14-13-4)12-2-5(9)10/h1,5H,2H2,(H2,11,15)(H,12,14)
InChIKeyNEGMRAADDYOIFT-UHFFFAOYSA-N
XLogP0.91
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.61
LogP ≤ 50.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-(2,2-difluoroethylamino)pyridazine-4-carboxamide?
The IUPAC name of 6-chloro-3-(2,2-difluoroethylamino)pyridazine-4-carboxamide (CID 133341388) is 6-chloro-3-(2,2-difluoroethylamino)pyridazine-4-carboxamide.
What is the SMILES notation for 6-chloro-3-(2,2-difluoroethylamino)pyridazine-4-carboxamide?
The canonical SMILES for 6-chloro-3-(2,2-difluoroethylamino)pyridazine-4-carboxamide is NC(=O)c1cc(Cl)nnc1NCC(F)F.
What is the InChIKey of 6-chloro-3-(2,2-difluoroethylamino)pyridazine-4-carboxamide?
The InChIKey is NEGMRAADDYOIFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7ClF2N4O/c8-4-1-3(6(11)15)7(14-13-4)12-2-5(9)10/h1,5H,2H2,(H2,11,15)(H,12,14).
What are the key properties of 6-chloro-3-(2,2-difluoroethylamino)pyridazine-4-carboxamide?
6-chloro-3-(2,2-difluoroethylamino)pyridazine-4-carboxamide has a molecular weight of 236.61 g/mol, XLogP of 0.91, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3-(2,2-difluoroethylamino)pyridazine-4-carboxamide is sourced from PubChem (CID 133341388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).