3-(3,3,3-trifluoropropylamino)pyridazine-4-carboxylic acid

C8H8F3N3O2 — CID 80516666

IUPAC3-(3,3,3-trifluoropropylamino)pyridazine-4-carboxylic acid
SMILESO=C(O)c1ccnnc1NCCC(F)(F)F
InChIInChI=1S/C8H8F3N3O2/c9-8(10,11)2-4-12-6-5(7(15)16)1-3-13-14-6/h1,3H,2,4H2,(H,12,14)(H,15,16)
InChIKeyFNFYYKQTLXGJLV-UHFFFAOYSA-N
MW235.16 g/mol
LogP1.54
Rot. Bonds4

About 3-(3,3,3-trifluoropropylamino)pyridazine-4-carboxylic acid

3-(3,3,3-trifluoropropylamino)pyridazine-4-carboxylic acid (PubChem CID 80516666) has the molecular formula C8H8F3N3O2 and a molecular weight of 235.16 g/mol. Its IUPAC name is 3-(3,3,3-trifluoropropylamino)pyridazine-4-carboxylic acid.

Molecular Properties

Compound Name3-(3,3,3-trifluoropropylamino)pyridazine-4-carboxylic acid
PubChem CID80516666
Molecular FormulaC8H8F3N3O2
Molecular Weight235.16 g/mol
Exact Mass235.06
IUPAC Name3-(3,3,3-trifluoropropylamino)pyridazine-4-carboxylic acid
SMILESO=C(O)c1ccnnc1NCCC(F)(F)F
InChIInChI=1S/C8H8F3N3O2/c9-8(10,11)2-4-12-6-5(7(15)16)1-3-13-14-6/h1,3H,2,4H2,(H,12,14)(H,15,16)
InChIKeyFNFYYKQTLXGJLV-UHFFFAOYSA-N
XLogP1.54
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.16
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(3,3,3-trifluoropropylamino)pyridazine-4-carboxylic acid?
The IUPAC name of 3-(3,3,3-trifluoropropylamino)pyridazine-4-carboxylic acid (CID 80516666) is 3-(3,3,3-trifluoropropylamino)pyridazine-4-carboxylic acid.
What is the SMILES notation for 3-(3,3,3-trifluoropropylamino)pyridazine-4-carboxylic acid?
The canonical SMILES for 3-(3,3,3-trifluoropropylamino)pyridazine-4-carboxylic acid is O=C(O)c1ccnnc1NCCC(F)(F)F.
What is the InChIKey of 3-(3,3,3-trifluoropropylamino)pyridazine-4-carboxylic acid?
The InChIKey is FNFYYKQTLXGJLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8F3N3O2/c9-8(10,11)2-4-12-6-5(7(15)16)1-3-13-14-6/h1,3H,2,4H2,(H,12,14)(H,15,16).
What are the key properties of 3-(3,3,3-trifluoropropylamino)pyridazine-4-carboxylic acid?
3-(3,3,3-trifluoropropylamino)pyridazine-4-carboxylic acid has a molecular weight of 235.16 g/mol, XLogP of 1.54, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,3,3-trifluoropropylamino)pyridazine-4-carboxylic acid is sourced from PubChem (CID 80516666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).