N-propan-2-yl-6-(2,3,4-trifluoroanilino)pyridazine-3-carboxamide

C14H13F3N4O — CID 109109786

IUPACN-propan-2-yl-6-(2,3,4-trifluoroanilino)pyridazine-3-carboxamide
SMILESCC(C)NC(=O)c1ccc(Nc2ccc(F)c(F)c2F)nn1
InChIInChI=1S/C14H13F3N4O/c1-7(2)18-14(22)10-5-6-11(21-20-10)19-9-4-3-8(15)12(16)13(9)17/h3-7H,1-2H3,(H,18,22)(H,19,21)
InChIKeyZUTCUZACNNGXKI-UHFFFAOYSA-N
MW310.28 g/mol
LogP2.78
Rot. Bonds4

About N-propan-2-yl-6-(2,3,4-trifluoroanilino)pyridazine-3-carboxamide

N-propan-2-yl-6-(2,3,4-trifluoroanilino)pyridazine-3-carboxamide (PubChem CID 109109786) has the molecular formula C14H13F3N4O and a molecular weight of 310.28 g/mol. Its IUPAC name is N-propan-2-yl-6-(2,3,4-trifluoroanilino)pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-propan-2-yl-6-(2,3,4-trifluoroanilino)pyridazine-3-carboxamide
PubChem CID109109786
Molecular FormulaC14H13F3N4O
Molecular Weight310.28 g/mol
Exact Mass310.10
IUPAC NameN-propan-2-yl-6-(2,3,4-trifluoroanilino)pyridazine-3-carboxamide
SMILESCC(C)NC(=O)c1ccc(Nc2ccc(F)c(F)c2F)nn1
InChIInChI=1S/C14H13F3N4O/c1-7(2)18-14(22)10-5-6-11(21-20-10)19-9-4-3-8(15)12(16)13(9)17/h3-7H,1-2H3,(H,18,22)(H,19,21)
InChIKeyZUTCUZACNNGXKI-UHFFFAOYSA-N
XLogP2.78
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.28
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

6-(2,6-difluoroanilino)-N-propan-2-ylpyridazine-3-carboxamide
CID 109109787
N-(3,4-difluorophenyl)-6-(2,3,4-trifluoroanilino)pyridazine-3-carboxamide
CID 109130401
6-(2,4-dimethoxyanilino)-N-propan-2-ylpyridazine-3-carboxamide
CID 109109731
6-(4-methylanilino)-N-(2,3,4-trifluorophenyl)pyridazine-3-carboxamide
CID 109127073
6-anilino-N-(2,3,4-trifluorophenyl)pyridazine-3-carboxamide
CID 109126640
6-(3-fluoroanilino)-N-propan-2-ylpyridazine-3-carboxamide
CID 109109755
N-(2-cyanophenyl)-6-(2,3,4-trifluoroanilino)pyridazine-3-carboxamide
CID 109130365
2-ethyl-N-[6-(2,3,4-trifluoroanilino)pyridazin-3-yl]butanamide
CID 113051469
4-fluoro-N-[6-(2,3,4-trifluoroanilino)pyridazin-3-yl]benzamide
CID 113051478
N-(1,3-benzodioxol-5-yl)-6-(2,3,4-trifluoroanilino)pyridazine-3-carboxamide
CID 109130169
N-[6-(2,3,4-trifluoroanilino)pyridazin-3-yl]methanesulfonamide
CID 113051513
N-butan-2-yl-2-methyl-6-(2,3,4-trifluoroanilino)pyrimidine-4-carboxamide
CID 109362686

Frequently Asked Questions

What is the IUPAC name of N-propan-2-yl-6-(2,3,4-trifluoroanilino)pyridazine-3-carboxamide?
The IUPAC name of N-propan-2-yl-6-(2,3,4-trifluoroanilino)pyridazine-3-carboxamide (CID 109109786) is N-propan-2-yl-6-(2,3,4-trifluoroanilino)pyridazine-3-carboxamide.
What is the SMILES notation for N-propan-2-yl-6-(2,3,4-trifluoroanilino)pyridazine-3-carboxamide?
The canonical SMILES for N-propan-2-yl-6-(2,3,4-trifluoroanilino)pyridazine-3-carboxamide is CC(C)NC(=O)c1ccc(Nc2ccc(F)c(F)c2F)nn1.
What is the InChIKey of N-propan-2-yl-6-(2,3,4-trifluoroanilino)pyridazine-3-carboxamide?
The InChIKey is ZUTCUZACNNGXKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13F3N4O/c1-7(2)18-14(22)10-5-6-11(21-20-10)19-9-4-3-8(15)12(16)13(9)17/h3-7H,1-2H3,(H,18,22)(H,19,21).
What are the key properties of N-propan-2-yl-6-(2,3,4-trifluoroanilino)pyridazine-3-carboxamide?
N-propan-2-yl-6-(2,3,4-trifluoroanilino)pyridazine-3-carboxamide has a molecular weight of 310.28 g/mol, XLogP of 2.78, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-propan-2-yl-6-(2,3,4-trifluoroanilino)pyridazine-3-carboxamide is sourced from PubChem (CID 109109786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).