6-chloro-3-[[2-[methyl(2,2,2-trifluoroethyl)amino]-2-oxoethyl]amino]pyridazine-4-carboxamide

C10H11ClF3N5O2 — CID 133340882

IUPAC6-chloro-3-[[2-[methyl(2,2,2-trifluoroethyl)amino]-2-oxoethyl]amino]pyridazine-4-carboxamide
SMILESCN(CC(F)(F)F)C(=O)CNc1nnc(Cl)cc1C(N)=O
InChIInChI=1S/C10H11ClF3N5O2/c1-19(4-10(12,13)14)7(20)3-16-9-5(8(15)21)2-6(11)17-18-9/h2H,3-4H2,1H3,(H2,15,21)(H,16,18)
InChIKeyAZANKFNZLJKNEZ-UHFFFAOYSA-N
MW325.68 g/mol
LogP0.66
Rot. Bonds5

About 6-chloro-3-[[2-[methyl(2,2,2-trifluoroethyl)amino]-2-oxoethyl]amino]pyridazine-4-carboxamide

6-chloro-3-[[2-[methyl(2,2,2-trifluoroethyl)amino]-2-oxoethyl]amino]pyridazine-4-carboxamide (PubChem CID 133340882) has the molecular formula C10H11ClF3N5O2 and a molecular weight of 325.68 g/mol. Its IUPAC name is 6-chloro-3-[[2-[methyl(2,2,2-trifluoroethyl)amino]-2-oxoethyl]amino]pyridazine-4-carboxamide.

Molecular Properties

Compound Name6-chloro-3-[[2-[methyl(2,2,2-trifluoroethyl)amino]-2-oxoethyl]amino]pyridazine-4-carboxamide
PubChem CID133340882
Molecular FormulaC10H11ClF3N5O2
Molecular Weight325.68 g/mol
Exact Mass325.06
IUPAC Name6-chloro-3-[[2-[methyl(2,2,2-trifluoroethyl)amino]-2-oxoethyl]amino]pyridazine-4-carboxamide
SMILESCN(CC(F)(F)F)C(=O)CNc1nnc(Cl)cc1C(N)=O
InChIInChI=1S/C10H11ClF3N5O2/c1-19(4-10(12,13)14)7(20)3-16-9-5(8(15)21)2-6(11)17-18-9/h2H,3-4H2,1H3,(H2,15,21)(H,16,18)
InChIKeyAZANKFNZLJKNEZ-UHFFFAOYSA-N
XLogP0.66
TPSA101.21 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.68
LogP ≤ 50.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-[[2-[methyl(2,2,2-trifluoroethyl)amino]-2-oxoethyl]amino]pyridazine-4-carboxamide?
The IUPAC name of 6-chloro-3-[[2-[methyl(2,2,2-trifluoroethyl)amino]-2-oxoethyl]amino]pyridazine-4-carboxamide (CID 133340882) is 6-chloro-3-[[2-[methyl(2,2,2-trifluoroethyl)amino]-2-oxoethyl]amino]pyridazine-4-carboxamide.
What is the SMILES notation for 6-chloro-3-[[2-[methyl(2,2,2-trifluoroethyl)amino]-2-oxoethyl]amino]pyridazine-4-carboxamide?
The canonical SMILES for 6-chloro-3-[[2-[methyl(2,2,2-trifluoroethyl)amino]-2-oxoethyl]amino]pyridazine-4-carboxamide is CN(CC(F)(F)F)C(=O)CNc1nnc(Cl)cc1C(N)=O.
What is the InChIKey of 6-chloro-3-[[2-[methyl(2,2,2-trifluoroethyl)amino]-2-oxoethyl]amino]pyridazine-4-carboxamide?
The InChIKey is AZANKFNZLJKNEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClF3N5O2/c1-19(4-10(12,13)14)7(20)3-16-9-5(8(15)21)2-6(11)17-18-9/h2H,3-4H2,1H3,(H2,15,21)(H,16,18).
What are the key properties of 6-chloro-3-[[2-[methyl(2,2,2-trifluoroethyl)amino]-2-oxoethyl]amino]pyridazine-4-carboxamide?
6-chloro-3-[[2-[methyl(2,2,2-trifluoroethyl)amino]-2-oxoethyl]amino]pyridazine-4-carboxamide has a molecular weight of 325.68 g/mol, XLogP of 0.66, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3-[[2-[methyl(2,2,2-trifluoroethyl)amino]-2-oxoethyl]amino]pyridazine-4-carboxamide is sourced from PubChem (CID 133340882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).