N-[3,5-bis(trifluoromethyl)phenyl]-6-oxo-1H-pyridazine-3-carboxamide

C13H7F6N3O2 — CID 7585575

IUPACN-[3,5-bis(trifluoromethyl)phenyl]-6-oxo-1H-pyridazine-3-carboxamide
SMILESO=C(Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1ccc(=O)[nH]n1
InChIInChI=1S/C13H7F6N3O2/c14-12(15,16)6-3-7(13(17,18)19)5-8(4-6)20-11(24)9-1-2-10(23)22-21-9/h1-5H,(H,20,24)(H,22,23)
InChIKeyGGGZPMRRAFDGAU-UHFFFAOYSA-N
MW351.21 g/mol
LogP3.06
Rot. Bonds2

About N-[3,5-bis(trifluoromethyl)phenyl]-6-oxo-1H-pyridazine-3-carboxamide

N-[3,5-bis(trifluoromethyl)phenyl]-6-oxo-1H-pyridazine-3-carboxamide (PubChem CID 7585575) has the molecular formula C13H7F6N3O2 and a molecular weight of 351.21 g/mol. Its IUPAC name is N-[3,5-bis(trifluoromethyl)phenyl]-6-oxo-1H-pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-[3,5-bis(trifluoromethyl)phenyl]-6-oxo-1H-pyridazine-3-carboxamide
PubChem CID7585575
Molecular FormulaC13H7F6N3O2
Molecular Weight351.21 g/mol
Exact Mass351.04
IUPAC NameN-[3,5-bis(trifluoromethyl)phenyl]-6-oxo-1H-pyridazine-3-carboxamide
SMILESO=C(Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1ccc(=O)[nH]n1
InChIInChI=1S/C13H7F6N3O2/c14-12(15,16)6-3-7(13(17,18)19)5-8(4-6)20-11(24)9-1-2-10(23)22-21-9/h1-5H,(H,20,24)(H,22,23)
InChIKeyGGGZPMRRAFDGAU-UHFFFAOYSA-N
XLogP3.06
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.21
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[3,5-bis(trifluoromethyl)phenyl]-6-oxo-1H-pyridazine-3-carboxamide?
The IUPAC name of N-[3,5-bis(trifluoromethyl)phenyl]-6-oxo-1H-pyridazine-3-carboxamide (CID 7585575) is N-[3,5-bis(trifluoromethyl)phenyl]-6-oxo-1H-pyridazine-3-carboxamide.
What is the SMILES notation for N-[3,5-bis(trifluoromethyl)phenyl]-6-oxo-1H-pyridazine-3-carboxamide?
The canonical SMILES for N-[3,5-bis(trifluoromethyl)phenyl]-6-oxo-1H-pyridazine-3-carboxamide is O=C(Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1ccc(=O)[nH]n1.
What is the InChIKey of N-[3,5-bis(trifluoromethyl)phenyl]-6-oxo-1H-pyridazine-3-carboxamide?
The InChIKey is GGGZPMRRAFDGAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7F6N3O2/c14-12(15,16)6-3-7(13(17,18)19)5-8(4-6)20-11(24)9-1-2-10(23)22-21-9/h1-5H,(H,20,24)(H,22,23).
What are the key properties of N-[3,5-bis(trifluoromethyl)phenyl]-6-oxo-1H-pyridazine-3-carboxamide?
N-[3,5-bis(trifluoromethyl)phenyl]-6-oxo-1H-pyridazine-3-carboxamide has a molecular weight of 351.21 g/mol, XLogP of 3.06, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3,5-bis(trifluoromethyl)phenyl]-6-oxo-1H-pyridazine-3-carboxamide is sourced from PubChem (CID 7585575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).