1-methyl-6-oxo-N-(2,2,2-trifluoroethyl)pyridazine-3-carboxamide

C8H8F3N3O2 — CID 51166533

IUPAC1-methyl-6-oxo-N-(2,2,2-trifluoroethyl)pyridazine-3-carboxamide
SMILESCn1nc(C(=O)NCC(F)(F)F)ccc1=O
InChIInChI=1S/C8H8F3N3O2/c1-14-6(15)3-2-5(13-14)7(16)12-4-8(9,10)11/h2-3H,4H2,1H3,(H,12,16)
InChIKeyQSACIUCDSHIJKE-UHFFFAOYSA-N
MW235.16 g/mol
LogP0.07
Rot. Bonds2

About 1-methyl-6-oxo-N-(2,2,2-trifluoroethyl)pyridazine-3-carboxamide

1-methyl-6-oxo-N-(2,2,2-trifluoroethyl)pyridazine-3-carboxamide (PubChem CID 51166533) has the molecular formula C8H8F3N3O2 and a molecular weight of 235.16 g/mol. Its IUPAC name is 1-methyl-6-oxo-N-(2,2,2-trifluoroethyl)pyridazine-3-carboxamide.

Molecular Properties

Compound Name1-methyl-6-oxo-N-(2,2,2-trifluoroethyl)pyridazine-3-carboxamide
PubChem CID51166533
Molecular FormulaC8H8F3N3O2
Molecular Weight235.16 g/mol
Exact Mass235.06
IUPAC Name1-methyl-6-oxo-N-(2,2,2-trifluoroethyl)pyridazine-3-carboxamide
SMILESCn1nc(C(=O)NCC(F)(F)F)ccc1=O
InChIInChI=1S/C8H8F3N3O2/c1-14-6(15)3-2-5(13-14)7(16)12-4-8(9,10)11/h2-3H,4H2,1H3,(H,12,16)
InChIKeyQSACIUCDSHIJKE-UHFFFAOYSA-N
XLogP0.07
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.16
LogP ≤ 50.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-6-oxo-N-(2,2,2-trifluoroethyl)pyridazine-3-carboxamide?
The IUPAC name of 1-methyl-6-oxo-N-(2,2,2-trifluoroethyl)pyridazine-3-carboxamide (CID 51166533) is 1-methyl-6-oxo-N-(2,2,2-trifluoroethyl)pyridazine-3-carboxamide.
What is the SMILES notation for 1-methyl-6-oxo-N-(2,2,2-trifluoroethyl)pyridazine-3-carboxamide?
The canonical SMILES for 1-methyl-6-oxo-N-(2,2,2-trifluoroethyl)pyridazine-3-carboxamide is Cn1nc(C(=O)NCC(F)(F)F)ccc1=O.
What is the InChIKey of 1-methyl-6-oxo-N-(2,2,2-trifluoroethyl)pyridazine-3-carboxamide?
The InChIKey is QSACIUCDSHIJKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8F3N3O2/c1-14-6(15)3-2-5(13-14)7(16)12-4-8(9,10)11/h2-3H,4H2,1H3,(H,12,16).
What are the key properties of 1-methyl-6-oxo-N-(2,2,2-trifluoroethyl)pyridazine-3-carboxamide?
1-methyl-6-oxo-N-(2,2,2-trifluoroethyl)pyridazine-3-carboxamide has a molecular weight of 235.16 g/mol, XLogP of 0.07, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-6-oxo-N-(2,2,2-trifluoroethyl)pyridazine-3-carboxamide is sourced from PubChem (CID 51166533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).