6-chloro-N-(3,3,3-trifluoropropyl)pyridazine-3-carboxamide

C8H7ClF3N3O — CID 63226741

IUPAC6-chloro-N-(3,3,3-trifluoropropyl)pyridazine-3-carboxamide
SMILESO=C(NCCC(F)(F)F)c1ccc(Cl)nn1
InChIInChI=1S/C8H7ClF3N3O/c9-6-2-1-5(14-15-6)7(16)13-4-3-8(10,11)12/h1-2H,3-4H2,(H,13,16)
InChIKeyLOEYYHLKAOSIKA-UHFFFAOYSA-N
MW253.61 g/mol
LogP1.81
Rot. Bonds3

About 6-chloro-N-(3,3,3-trifluoropropyl)pyridazine-3-carboxamide

6-chloro-N-(3,3,3-trifluoropropyl)pyridazine-3-carboxamide (PubChem CID 63226741) has the molecular formula C8H7ClF3N3O and a molecular weight of 253.61 g/mol. Its IUPAC name is 6-chloro-N-(3,3,3-trifluoropropyl)pyridazine-3-carboxamide.

Molecular Properties

Compound Name6-chloro-N-(3,3,3-trifluoropropyl)pyridazine-3-carboxamide
PubChem CID63226741
Molecular FormulaC8H7ClF3N3O
Molecular Weight253.61 g/mol
Exact Mass253.02
IUPAC Name6-chloro-N-(3,3,3-trifluoropropyl)pyridazine-3-carboxamide
SMILESO=C(NCCC(F)(F)F)c1ccc(Cl)nn1
InChIInChI=1S/C8H7ClF3N3O/c9-6-2-1-5(14-15-6)7(16)13-4-3-8(10,11)12/h1-2H,3-4H2,(H,13,16)
InChIKeyLOEYYHLKAOSIKA-UHFFFAOYSA-N
XLogP1.81
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.61
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-(3,3,3-trifluoropropyl)pyridazine-3-carboxamide?
The IUPAC name of 6-chloro-N-(3,3,3-trifluoropropyl)pyridazine-3-carboxamide (CID 63226741) is 6-chloro-N-(3,3,3-trifluoropropyl)pyridazine-3-carboxamide.
What is the SMILES notation for 6-chloro-N-(3,3,3-trifluoropropyl)pyridazine-3-carboxamide?
The canonical SMILES for 6-chloro-N-(3,3,3-trifluoropropyl)pyridazine-3-carboxamide is O=C(NCCC(F)(F)F)c1ccc(Cl)nn1.
What is the InChIKey of 6-chloro-N-(3,3,3-trifluoropropyl)pyridazine-3-carboxamide?
The InChIKey is LOEYYHLKAOSIKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7ClF3N3O/c9-6-2-1-5(14-15-6)7(16)13-4-3-8(10,11)12/h1-2H,3-4H2,(H,13,16).
What are the key properties of 6-chloro-N-(3,3,3-trifluoropropyl)pyridazine-3-carboxamide?
6-chloro-N-(3,3,3-trifluoropropyl)pyridazine-3-carboxamide has a molecular weight of 253.61 g/mol, XLogP of 1.81, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-(3,3,3-trifluoropropyl)pyridazine-3-carboxamide is sourced from PubChem (CID 63226741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).