6-(tert-butylamino)-N-[2-(trifluoromethyl)phenyl]pyridazine-3-carboxamide

C16H17F3N4O — CID 109124777

IUPAC6-(tert-butylamino)-N-[2-(trifluoromethyl)phenyl]pyridazine-3-carboxamide
SMILESCC(C)(C)Nc1ccc(C(=O)Nc2ccccc2C(F)(F)F)nn1
InChIInChI=1S/C16H17F3N4O/c1-15(2,3)21-13-9-8-12(22-23-13)14(24)20-11-7-5-4-6-10(11)16(17,18)19/h4-9H,1-3H3,(H,20,24)(H,21,23)
InChIKeyGIAHZFGYPJYKSV-UHFFFAOYSA-N
MW338.33 g/mol
LogP3.96
Rot. Bonds3

About 6-(tert-butylamino)-N-[2-(trifluoromethyl)phenyl]pyridazine-3-carboxamide

6-(tert-butylamino)-N-[2-(trifluoromethyl)phenyl]pyridazine-3-carboxamide (PubChem CID 109124777) has the molecular formula C16H17F3N4O and a molecular weight of 338.33 g/mol. Its IUPAC name is 6-(tert-butylamino)-N-[2-(trifluoromethyl)phenyl]pyridazine-3-carboxamide.

Molecular Properties

Compound Name6-(tert-butylamino)-N-[2-(trifluoromethyl)phenyl]pyridazine-3-carboxamide
PubChem CID109124777
Molecular FormulaC16H17F3N4O
Molecular Weight338.33 g/mol
Exact Mass338.14
IUPAC Name6-(tert-butylamino)-N-[2-(trifluoromethyl)phenyl]pyridazine-3-carboxamide
SMILESCC(C)(C)Nc1ccc(C(=O)Nc2ccccc2C(F)(F)F)nn1
InChIInChI=1S/C16H17F3N4O/c1-15(2,3)21-13-9-8-12(22-23-13)14(24)20-11-7-5-4-6-10(11)16(17,18)19/h4-9H,1-3H3,(H,20,24)(H,21,23)
InChIKeyGIAHZFGYPJYKSV-UHFFFAOYSA-N
XLogP3.96
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.33
LogP ≤ 53.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-(3-methoxypropylamino)-N-[2-(trifluoromethyl)phenyl]pyridazine-3-carboxamide
CID 109114208
6-methoxy-N-[2-(trifluoromethyl)phenyl]pyridazine-3-carboxamide
CID 90509411
6-propan-2-yl-N-[2-(trifluoromethyl)phenyl]pyridazine-3-carboxamide
CID 113200454
6-(tert-butylamino)-N-(2,4-difluorophenyl)pyridazine-3-carboxamide
CID 109124809
N-(2-tert-butylphenyl)-6-(propylamino)pyridazine-3-carboxamide
CID 109109147
6-(tert-butylamino)-N-(4-methylphenyl)pyridazine-3-carboxamide
CID 109124730
N-(2-tert-butylphenyl)-6-(3-methylbutylamino)pyridazine-3-carboxamide
CID 109125175
5-amino-N-[2-(trifluoromethyl)phenyl]pyridine-2-carboxamide
CID 81319297
N-[2-(trifluoromethyl)phenyl]quinoline-2-carboxamide
CID 127043003
1-methyl-6-oxo-N-[2-(trifluoromethyl)phenyl]pyridazine-3-carboxamide
CID 42161810
N,N-diethyl-6-[2-(trifluoromethyl)anilino]pyridazine-3-carboxamide
CID 109124460
N-(2-tert-butylphenyl)-6-(2-cyanoanilino)pyridazine-3-carboxamide
CID 109128317

Frequently Asked Questions

What is the IUPAC name of 6-(tert-butylamino)-N-[2-(trifluoromethyl)phenyl]pyridazine-3-carboxamide?
The IUPAC name of 6-(tert-butylamino)-N-[2-(trifluoromethyl)phenyl]pyridazine-3-carboxamide (CID 109124777) is 6-(tert-butylamino)-N-[2-(trifluoromethyl)phenyl]pyridazine-3-carboxamide.
What is the SMILES notation for 6-(tert-butylamino)-N-[2-(trifluoromethyl)phenyl]pyridazine-3-carboxamide?
The canonical SMILES for 6-(tert-butylamino)-N-[2-(trifluoromethyl)phenyl]pyridazine-3-carboxamide is CC(C)(C)Nc1ccc(C(=O)Nc2ccccc2C(F)(F)F)nn1.
What is the InChIKey of 6-(tert-butylamino)-N-[2-(trifluoromethyl)phenyl]pyridazine-3-carboxamide?
The InChIKey is GIAHZFGYPJYKSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17F3N4O/c1-15(2,3)21-13-9-8-12(22-23-13)14(24)20-11-7-5-4-6-10(11)16(17,18)19/h4-9H,1-3H3,(H,20,24)(H,21,23).
What are the key properties of 6-(tert-butylamino)-N-[2-(trifluoromethyl)phenyl]pyridazine-3-carboxamide?
6-(tert-butylamino)-N-[2-(trifluoromethyl)phenyl]pyridazine-3-carboxamide has a molecular weight of 338.33 g/mol, XLogP of 3.96, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(tert-butylamino)-N-[2-(trifluoromethyl)phenyl]pyridazine-3-carboxamide is sourced from PubChem (CID 109124777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).