[3-(2,2-difluoroethoxy)-5,6-dimethylpyridazin-4-yl]methanamine

C9H13F2N3O — CID 82004811

IUPAC[3-(2,2-difluoroethoxy)-5,6-dimethylpyridazin-4-yl]methanamine
SMILESCc1nnc(OCC(F)F)c(CN)c1C
InChIInChI=1S/C9H13F2N3O/c1-5-6(2)13-14-9(7(5)3-12)15-4-8(10)11/h8H,3-4,12H2,1-2H3
InChIKeyORCIBIFXVCAYPG-UHFFFAOYSA-N
MW217.22 g/mol
LogP1.20
Rot. Bonds4

About [3-(2,2-difluoroethoxy)-5,6-dimethylpyridazin-4-yl]methanamine

[3-(2,2-difluoroethoxy)-5,6-dimethylpyridazin-4-yl]methanamine (PubChem CID 82004811) has the molecular formula C9H13F2N3O and a molecular weight of 217.22 g/mol. Its IUPAC name is [3-(2,2-difluoroethoxy)-5,6-dimethylpyridazin-4-yl]methanamine.

Molecular Properties

Compound Name[3-(2,2-difluoroethoxy)-5,6-dimethylpyridazin-4-yl]methanamine
PubChem CID82004811
Molecular FormulaC9H13F2N3O
Molecular Weight217.22 g/mol
Exact Mass217.10
IUPAC Name[3-(2,2-difluoroethoxy)-5,6-dimethylpyridazin-4-yl]methanamine
SMILESCc1nnc(OCC(F)F)c(CN)c1C
InChIInChI=1S/C9H13F2N3O/c1-5-6(2)13-14-9(7(5)3-12)15-4-8(10)11/h8H,3-4,12H2,1-2H3
InChIKeyORCIBIFXVCAYPG-UHFFFAOYSA-N
XLogP1.20
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.22
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [3-(2,2-difluoroethoxy)-5,6-dimethylpyridazin-4-yl]methanamine?
The IUPAC name of [3-(2,2-difluoroethoxy)-5,6-dimethylpyridazin-4-yl]methanamine (CID 82004811) is [3-(2,2-difluoroethoxy)-5,6-dimethylpyridazin-4-yl]methanamine.
What is the SMILES notation for [3-(2,2-difluoroethoxy)-5,6-dimethylpyridazin-4-yl]methanamine?
The canonical SMILES for [3-(2,2-difluoroethoxy)-5,6-dimethylpyridazin-4-yl]methanamine is Cc1nnc(OCC(F)F)c(CN)c1C.
What is the InChIKey of [3-(2,2-difluoroethoxy)-5,6-dimethylpyridazin-4-yl]methanamine?
The InChIKey is ORCIBIFXVCAYPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13F2N3O/c1-5-6(2)13-14-9(7(5)3-12)15-4-8(10)11/h8H,3-4,12H2,1-2H3.
What are the key properties of [3-(2,2-difluoroethoxy)-5,6-dimethylpyridazin-4-yl]methanamine?
[3-(2,2-difluoroethoxy)-5,6-dimethylpyridazin-4-yl]methanamine has a molecular weight of 217.22 g/mol, XLogP of 1.20, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2,2-difluoroethoxy)-5,6-dimethylpyridazin-4-yl]methanamine is sourced from PubChem (CID 82004811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).