6-chloro-N-(3,5-difluorophenyl)-4,5-dimethylpyridazin-3-amine

C12H10ClF2N3 — CID 55169285

IUPAC6-chloro-N-(3,5-difluorophenyl)-4,5-dimethylpyridazin-3-amine
SMILESCc1c(Cl)nnc(Nc2cc(F)cc(F)c2)c1C
InChIInChI=1S/C12H10ClF2N3/c1-6-7(2)12(18-17-11(6)13)16-10-4-8(14)3-9(15)5-10/h3-5H,1-2H3,(H,16,18)
InChIKeyWPVZLLYNMZCOLU-UHFFFAOYSA-N
MW269.68 g/mol
LogP3.77
Rot. Bonds2

About 6-chloro-N-(3,5-difluorophenyl)-4,5-dimethylpyridazin-3-amine

6-chloro-N-(3,5-difluorophenyl)-4,5-dimethylpyridazin-3-amine (PubChem CID 55169285) has the molecular formula C12H10ClF2N3 and a molecular weight of 269.68 g/mol. Its IUPAC name is 6-chloro-N-(3,5-difluorophenyl)-4,5-dimethylpyridazin-3-amine.

Molecular Properties

Compound Name6-chloro-N-(3,5-difluorophenyl)-4,5-dimethylpyridazin-3-amine
PubChem CID55169285
Molecular FormulaC12H10ClF2N3
Molecular Weight269.68 g/mol
Exact Mass269.05
IUPAC Name6-chloro-N-(3,5-difluorophenyl)-4,5-dimethylpyridazin-3-amine
SMILESCc1c(Cl)nnc(Nc2cc(F)cc(F)c2)c1C
InChIInChI=1S/C12H10ClF2N3/c1-6-7(2)12(18-17-11(6)13)16-10-4-8(14)3-9(15)5-10/h3-5H,1-2H3,(H,16,18)
InChIKeyWPVZLLYNMZCOLU-UHFFFAOYSA-N
XLogP3.77
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.68
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-(3,5-difluorophenyl)-4,5-dimethylpyridazin-3-amine?
The IUPAC name of 6-chloro-N-(3,5-difluorophenyl)-4,5-dimethylpyridazin-3-amine (CID 55169285) is 6-chloro-N-(3,5-difluorophenyl)-4,5-dimethylpyridazin-3-amine.
What is the SMILES notation for 6-chloro-N-(3,5-difluorophenyl)-4,5-dimethylpyridazin-3-amine?
The canonical SMILES for 6-chloro-N-(3,5-difluorophenyl)-4,5-dimethylpyridazin-3-amine is Cc1c(Cl)nnc(Nc2cc(F)cc(F)c2)c1C.
What is the InChIKey of 6-chloro-N-(3,5-difluorophenyl)-4,5-dimethylpyridazin-3-amine?
The InChIKey is WPVZLLYNMZCOLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClF2N3/c1-6-7(2)12(18-17-11(6)13)16-10-4-8(14)3-9(15)5-10/h3-5H,1-2H3,(H,16,18).
What are the key properties of 6-chloro-N-(3,5-difluorophenyl)-4,5-dimethylpyridazin-3-amine?
6-chloro-N-(3,5-difluorophenyl)-4,5-dimethylpyridazin-3-amine has a molecular weight of 269.68 g/mol, XLogP of 3.77, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-(3,5-difluorophenyl)-4,5-dimethylpyridazin-3-amine is sourced from PubChem (CID 55169285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).