6-oxo-N-(3,3,3-trifluoropropyl)-4,5-dihydro-1H-pyridazine-3-carboxamide

C8H10F3N3O2 — CID 63227741

IUPAC6-oxo-N-(3,3,3-trifluoropropyl)-4,5-dihydro-1H-pyridazine-3-carboxamide
SMILESO=C1CCC(C(=O)NCCC(F)(F)F)=NN1
InChIInChI=1S/C8H10F3N3O2/c9-8(10,11)3-4-12-7(16)5-1-2-6(15)14-13-5/h1-4H2,(H,12,16)(H,14,15)
InChIKeyOMJITFQJVTZGSU-UHFFFAOYSA-N
MW237.18 g/mol
LogP0.32
Rot. Bonds3

About 6-oxo-N-(3,3,3-trifluoropropyl)-4,5-dihydro-1H-pyridazine-3-carboxamide

6-oxo-N-(3,3,3-trifluoropropyl)-4,5-dihydro-1H-pyridazine-3-carboxamide (PubChem CID 63227741) has the molecular formula C8H10F3N3O2 and a molecular weight of 237.18 g/mol. Its IUPAC name is 6-oxo-N-(3,3,3-trifluoropropyl)-4,5-dihydro-1H-pyridazine-3-carboxamide.

Molecular Properties

Compound Name6-oxo-N-(3,3,3-trifluoropropyl)-4,5-dihydro-1H-pyridazine-3-carboxamide
PubChem CID63227741
Molecular FormulaC8H10F3N3O2
Molecular Weight237.18 g/mol
Exact Mass237.07
IUPAC Name6-oxo-N-(3,3,3-trifluoropropyl)-4,5-dihydro-1H-pyridazine-3-carboxamide
SMILESO=C1CCC(C(=O)NCCC(F)(F)F)=NN1
InChIInChI=1S/C8H10F3N3O2/c9-8(10,11)3-4-12-7(16)5-1-2-6(15)14-13-5/h1-4H2,(H,12,16)(H,14,15)
InChIKeyOMJITFQJVTZGSU-UHFFFAOYSA-N
XLogP0.32
TPSA70.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.18
LogP ≤ 50.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-oxo-N-(3,3,3-trifluoropropyl)-4,5-dihydro-1H-pyridazine-3-carboxamide?
The IUPAC name of 6-oxo-N-(3,3,3-trifluoropropyl)-4,5-dihydro-1H-pyridazine-3-carboxamide (CID 63227741) is 6-oxo-N-(3,3,3-trifluoropropyl)-4,5-dihydro-1H-pyridazine-3-carboxamide.
What is the SMILES notation for 6-oxo-N-(3,3,3-trifluoropropyl)-4,5-dihydro-1H-pyridazine-3-carboxamide?
The canonical SMILES for 6-oxo-N-(3,3,3-trifluoropropyl)-4,5-dihydro-1H-pyridazine-3-carboxamide is O=C1CCC(C(=O)NCCC(F)(F)F)=NN1.
What is the InChIKey of 6-oxo-N-(3,3,3-trifluoropropyl)-4,5-dihydro-1H-pyridazine-3-carboxamide?
The InChIKey is OMJITFQJVTZGSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F3N3O2/c9-8(10,11)3-4-12-7(16)5-1-2-6(15)14-13-5/h1-4H2,(H,12,16)(H,14,15).
What are the key properties of 6-oxo-N-(3,3,3-trifluoropropyl)-4,5-dihydro-1H-pyridazine-3-carboxamide?
6-oxo-N-(3,3,3-trifluoropropyl)-4,5-dihydro-1H-pyridazine-3-carboxamide has a molecular weight of 237.18 g/mol, XLogP of 0.32, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-oxo-N-(3,3,3-trifluoropropyl)-4,5-dihydro-1H-pyridazine-3-carboxamide is sourced from PubChem (CID 63227741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).