N-methyl-6-oxo-N-(2,2,2-trifluoroethyl)-4,5-dihydro-1H-pyridazine-3-carboxamide

C8H10F3N3O2 — CID 60890284

IUPACN-methyl-6-oxo-N-(2,2,2-trifluoroethyl)-4,5-dihydro-1H-pyridazine-3-carboxamide
SMILESCN(CC(F)(F)F)C(=O)C1=NNC(=O)CC1
InChIInChI=1S/C8H10F3N3O2/c1-14(4-8(9,10)11)7(16)5-2-3-6(15)13-12-5/h2-4H2,1H3,(H,13,15)
InChIKeyMANWEWVPLOLVPJ-UHFFFAOYSA-N
MW237.18 g/mol
LogP0.27
Rot. Bonds2

About N-methyl-6-oxo-N-(2,2,2-trifluoroethyl)-4,5-dihydro-1H-pyridazine-3-carboxamide

N-methyl-6-oxo-N-(2,2,2-trifluoroethyl)-4,5-dihydro-1H-pyridazine-3-carboxamide (PubChem CID 60890284) has the molecular formula C8H10F3N3O2 and a molecular weight of 237.18 g/mol. Its IUPAC name is N-methyl-6-oxo-N-(2,2,2-trifluoroethyl)-4,5-dihydro-1H-pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-methyl-6-oxo-N-(2,2,2-trifluoroethyl)-4,5-dihydro-1H-pyridazine-3-carboxamide
PubChem CID60890284
Molecular FormulaC8H10F3N3O2
Molecular Weight237.18 g/mol
Exact Mass237.07
IUPAC NameN-methyl-6-oxo-N-(2,2,2-trifluoroethyl)-4,5-dihydro-1H-pyridazine-3-carboxamide
SMILESCN(CC(F)(F)F)C(=O)C1=NNC(=O)CC1
InChIInChI=1S/C8H10F3N3O2/c1-14(4-8(9,10)11)7(16)5-2-3-6(15)13-12-5/h2-4H2,1H3,(H,13,15)
InChIKeyMANWEWVPLOLVPJ-UHFFFAOYSA-N
XLogP0.27
TPSA61.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.18
LogP ≤ 50.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-methyl-6-oxo-N-(2,2,2-trifluoroethyl)-4,5-dihydro-1H-pyridazine-3-carboxamide?
The IUPAC name of N-methyl-6-oxo-N-(2,2,2-trifluoroethyl)-4,5-dihydro-1H-pyridazine-3-carboxamide (CID 60890284) is N-methyl-6-oxo-N-(2,2,2-trifluoroethyl)-4,5-dihydro-1H-pyridazine-3-carboxamide.
What is the SMILES notation for N-methyl-6-oxo-N-(2,2,2-trifluoroethyl)-4,5-dihydro-1H-pyridazine-3-carboxamide?
The canonical SMILES for N-methyl-6-oxo-N-(2,2,2-trifluoroethyl)-4,5-dihydro-1H-pyridazine-3-carboxamide is CN(CC(F)(F)F)C(=O)C1=NNC(=O)CC1.
What is the InChIKey of N-methyl-6-oxo-N-(2,2,2-trifluoroethyl)-4,5-dihydro-1H-pyridazine-3-carboxamide?
The InChIKey is MANWEWVPLOLVPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F3N3O2/c1-14(4-8(9,10)11)7(16)5-2-3-6(15)13-12-5/h2-4H2,1H3,(H,13,15).
What are the key properties of N-methyl-6-oxo-N-(2,2,2-trifluoroethyl)-4,5-dihydro-1H-pyridazine-3-carboxamide?
N-methyl-6-oxo-N-(2,2,2-trifluoroethyl)-4,5-dihydro-1H-pyridazine-3-carboxamide has a molecular weight of 237.18 g/mol, XLogP of 0.27, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-6-oxo-N-(2,2,2-trifluoroethyl)-4,5-dihydro-1H-pyridazine-3-carboxamide is sourced from PubChem (CID 60890284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).