N-methyl-6-[4-(2,2,3,3-tetrafluoropropyl)piperazin-1-yl]pyridazine-3-carboxamide

C13H17F4N5O — CID 133339559

IUPACN-methyl-6-[4-(2,2,3,3-tetrafluoropropyl)piperazin-1-yl]pyridazine-3-carboxamide
SMILESCNC(=O)c1ccc(N2CCN(CC(F)(F)C(F)F)CC2)nn1
InChIInChI=1S/C13H17F4N5O/c1-18-11(23)9-2-3-10(20-19-9)22-6-4-21(5-7-22)8-13(16,17)12(14)15/h2-3,12H,4-8H2,1H3,(H,18,23)
InChIKeyUNHARSXOOZCOQE-UHFFFAOYSA-N
MW335.31 g/mol
LogP0.86
Rot. Bonds5

About N-methyl-6-[4-(2,2,3,3-tetrafluoropropyl)piperazin-1-yl]pyridazine-3-carboxamide

N-methyl-6-[4-(2,2,3,3-tetrafluoropropyl)piperazin-1-yl]pyridazine-3-carboxamide (PubChem CID 133339559) has the molecular formula C13H17F4N5O and a molecular weight of 335.31 g/mol. Its IUPAC name is N-methyl-6-[4-(2,2,3,3-tetrafluoropropyl)piperazin-1-yl]pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-methyl-6-[4-(2,2,3,3-tetrafluoropropyl)piperazin-1-yl]pyridazine-3-carboxamide
PubChem CID133339559
Molecular FormulaC13H17F4N5O
Molecular Weight335.31 g/mol
Exact Mass335.14
IUPAC NameN-methyl-6-[4-(2,2,3,3-tetrafluoropropyl)piperazin-1-yl]pyridazine-3-carboxamide
SMILESCNC(=O)c1ccc(N2CCN(CC(F)(F)C(F)F)CC2)nn1
InChIInChI=1S/C13H17F4N5O/c1-18-11(23)9-2-3-10(20-19-9)22-6-4-21(5-7-22)8-13(16,17)12(14)15/h2-3,12H,4-8H2,1H3,(H,18,23)
InChIKeyUNHARSXOOZCOQE-UHFFFAOYSA-N
XLogP0.86
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.31
LogP ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Related Compounds

N-methyl-6-[4-(2-methylpyrimidin-4-yl)piperazin-1-yl]pyridazine-3-carboxamide
CID 133458571
6-[4-(4-methoxy-2-pyridinyl)piperazin-1-yl]-N-methylpyridazine-3-carboxamide
CID 133329406
6-[3,3-bis(trifluoromethyl)pyrrolidin-1-yl]-N-methylpyridazine-3-carboxamide
CID 133339812
6-[4-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]piperidin-1-yl]-N-methylpyridazine-3-carboxamide
CID 133339123
6-[(3aS,7aR)-1,3,3a,4,7,7a-hexahydroisoindol-2-yl]-N-methylpyridazine-3-carboxamide
CID 96566216
N-methyl-6-[4-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]pyridazine-3-carboxamide
CID 133340366
6-[4-(4-chloro-2-fluorobenzoyl)piperazin-1-yl]-N-methylpyridazine-3-carboxamide
CID 133343668
6-(4-ethylpiperazin-1-yl)-N-[2-(4-fluorophenyl)ethyl]pyridazine-3-carboxamide
CID 109116492
6-[3-(2-amino-2-oxoethyl)piperidin-1-yl]-N-methylpyridazine-3-carboxamide
CID 133356029
6-[4-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-1,4-diazepan-1-yl]-N-methylpyridazine-3-carboxamide
CID 133329524
6-[3-(dimethylamino)pyrrolidin-1-yl]-N-methylpyridazine-3-carboxamide
CID 133329265
6-(4-ethylpiperazin-1-yl)-N-[(4-fluorophenyl)methyl]pyridazine-3-carboxamide
CID 109116479

Frequently Asked Questions

What is the IUPAC name of N-methyl-6-[4-(2,2,3,3-tetrafluoropropyl)piperazin-1-yl]pyridazine-3-carboxamide?
The IUPAC name of N-methyl-6-[4-(2,2,3,3-tetrafluoropropyl)piperazin-1-yl]pyridazine-3-carboxamide (CID 133339559) is N-methyl-6-[4-(2,2,3,3-tetrafluoropropyl)piperazin-1-yl]pyridazine-3-carboxamide.
What is the SMILES notation for N-methyl-6-[4-(2,2,3,3-tetrafluoropropyl)piperazin-1-yl]pyridazine-3-carboxamide?
The canonical SMILES for N-methyl-6-[4-(2,2,3,3-tetrafluoropropyl)piperazin-1-yl]pyridazine-3-carboxamide is CNC(=O)c1ccc(N2CCN(CC(F)(F)C(F)F)CC2)nn1.
What is the InChIKey of N-methyl-6-[4-(2,2,3,3-tetrafluoropropyl)piperazin-1-yl]pyridazine-3-carboxamide?
The InChIKey is UNHARSXOOZCOQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F4N5O/c1-18-11(23)9-2-3-10(20-19-9)22-6-4-21(5-7-22)8-13(16,17)12(14)15/h2-3,12H,4-8H2,1H3,(H,18,23).
What are the key properties of N-methyl-6-[4-(2,2,3,3-tetrafluoropropyl)piperazin-1-yl]pyridazine-3-carboxamide?
N-methyl-6-[4-(2,2,3,3-tetrafluoropropyl)piperazin-1-yl]pyridazine-3-carboxamide has a molecular weight of 335.31 g/mol, XLogP of 0.86, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-6-[4-(2,2,3,3-tetrafluoropropyl)piperazin-1-yl]pyridazine-3-carboxamide is sourced from PubChem (CID 133339559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).