1-[(6-chloro-4,5-dimethylpyridazin-3-yl)amino]-5,5,5-trifluoropentan-2-one

C11H13ClF3N3O — CID 58136839

IUPAC1-[(6-chloro-4,5-dimethylpyridazin-3-yl)amino]-5,5,5-trifluoropentan-2-one
SMILESCc1c(Cl)nnc(NCC(=O)CCC(F)(F)F)c1C
InChIInChI=1S/C11H13ClF3N3O/c1-6-7(2)10(18-17-9(6)12)16-5-8(19)3-4-11(13,14)15/h3-5H2,1-2H3,(H,16,18)
InChIKeyKSDMAJLCYLYHKE-UHFFFAOYSA-N
MW295.69 g/mol
LogP3.07
Rot. Bonds5

About 1-[(6-chloro-4,5-dimethylpyridazin-3-yl)amino]-5,5,5-trifluoropentan-2-one

1-[(6-chloro-4,5-dimethylpyridazin-3-yl)amino]-5,5,5-trifluoropentan-2-one (PubChem CID 58136839) has the molecular formula C11H13ClF3N3O and a molecular weight of 295.69 g/mol. Its IUPAC name is 1-[(6-chloro-4,5-dimethylpyridazin-3-yl)amino]-5,5,5-trifluoropentan-2-one.

Molecular Properties

Compound Name1-[(6-chloro-4,5-dimethylpyridazin-3-yl)amino]-5,5,5-trifluoropentan-2-one
PubChem CID58136839
Molecular FormulaC11H13ClF3N3O
Molecular Weight295.69 g/mol
Exact Mass295.07
IUPAC Name1-[(6-chloro-4,5-dimethylpyridazin-3-yl)amino]-5,5,5-trifluoropentan-2-one
SMILESCc1c(Cl)nnc(NCC(=O)CCC(F)(F)F)c1C
InChIInChI=1S/C11H13ClF3N3O/c1-6-7(2)10(18-17-9(6)12)16-5-8(19)3-4-11(13,14)15/h3-5H2,1-2H3,(H,16,18)
InChIKeyKSDMAJLCYLYHKE-UHFFFAOYSA-N
XLogP3.07
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.69
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(6-chloro-4,5-dimethylpyridazin-3-yl)amino]-5,5,5-trifluoropentan-2-one?
The IUPAC name of 1-[(6-chloro-4,5-dimethylpyridazin-3-yl)amino]-5,5,5-trifluoropentan-2-one (CID 58136839) is 1-[(6-chloro-4,5-dimethylpyridazin-3-yl)amino]-5,5,5-trifluoropentan-2-one.
What is the SMILES notation for 1-[(6-chloro-4,5-dimethylpyridazin-3-yl)amino]-5,5,5-trifluoropentan-2-one?
The canonical SMILES for 1-[(6-chloro-4,5-dimethylpyridazin-3-yl)amino]-5,5,5-trifluoropentan-2-one is Cc1c(Cl)nnc(NCC(=O)CCC(F)(F)F)c1C.
What is the InChIKey of 1-[(6-chloro-4,5-dimethylpyridazin-3-yl)amino]-5,5,5-trifluoropentan-2-one?
The InChIKey is KSDMAJLCYLYHKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClF3N3O/c1-6-7(2)10(18-17-9(6)12)16-5-8(19)3-4-11(13,14)15/h3-5H2,1-2H3,(H,16,18).
What are the key properties of 1-[(6-chloro-4,5-dimethylpyridazin-3-yl)amino]-5,5,5-trifluoropentan-2-one?
1-[(6-chloro-4,5-dimethylpyridazin-3-yl)amino]-5,5,5-trifluoropentan-2-one has a molecular weight of 295.69 g/mol, XLogP of 3.07, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(6-chloro-4,5-dimethylpyridazin-3-yl)amino]-5,5,5-trifluoropentan-2-one is sourced from PubChem (CID 58136839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).