3-(2,2,2-trifluoroethylamino)pyridazine-4-carbonitrile

C7H5F3N4 — CID 80509327

IUPAC3-(2,2,2-trifluoroethylamino)pyridazine-4-carbonitrile
SMILESN#Cc1ccnnc1NCC(F)(F)F
InChIInChI=1S/C7H5F3N4/c8-7(9,10)4-12-6-5(3-11)1-2-13-14-6/h1-2H,4H2,(H,12,14)
InChIKeyIXXADDASACNYFO-UHFFFAOYSA-N
MW202.14 g/mol
LogP1.32
Rot. Bonds2

About 3-(2,2,2-trifluoroethylamino)pyridazine-4-carbonitrile

3-(2,2,2-trifluoroethylamino)pyridazine-4-carbonitrile (PubChem CID 80509327) has the molecular formula C7H5F3N4 and a molecular weight of 202.14 g/mol. Its IUPAC name is 3-(2,2,2-trifluoroethylamino)pyridazine-4-carbonitrile.

Molecular Properties

Compound Name3-(2,2,2-trifluoroethylamino)pyridazine-4-carbonitrile
PubChem CID80509327
Molecular FormulaC7H5F3N4
Molecular Weight202.14 g/mol
Exact Mass202.05
IUPAC Name3-(2,2,2-trifluoroethylamino)pyridazine-4-carbonitrile
SMILESN#Cc1ccnnc1NCC(F)(F)F
InChIInChI=1S/C7H5F3N4/c8-7(9,10)4-12-6-5(3-11)1-2-13-14-6/h1-2H,4H2,(H,12,14)
InChIKeyIXXADDASACNYFO-UHFFFAOYSA-N
XLogP1.32
TPSA61.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.14
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(2,2,2-trifluoroethylamino)pyridazine-4-carbonitrile?
The IUPAC name of 3-(2,2,2-trifluoroethylamino)pyridazine-4-carbonitrile (CID 80509327) is 3-(2,2,2-trifluoroethylamino)pyridazine-4-carbonitrile.
What is the SMILES notation for 3-(2,2,2-trifluoroethylamino)pyridazine-4-carbonitrile?
The canonical SMILES for 3-(2,2,2-trifluoroethylamino)pyridazine-4-carbonitrile is N#Cc1ccnnc1NCC(F)(F)F.
What is the InChIKey of 3-(2,2,2-trifluoroethylamino)pyridazine-4-carbonitrile?
The InChIKey is IXXADDASACNYFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5F3N4/c8-7(9,10)4-12-6-5(3-11)1-2-13-14-6/h1-2H,4H2,(H,12,14).
What are the key properties of 3-(2,2,2-trifluoroethylamino)pyridazine-4-carbonitrile?
3-(2,2,2-trifluoroethylamino)pyridazine-4-carbonitrile has a molecular weight of 202.14 g/mol, XLogP of 1.32, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,2,2-trifluoroethylamino)pyridazine-4-carbonitrile is sourced from PubChem (CID 80509327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).