N-[6-(cyclopropylamino)pyridazin-3-yl]-4-(trifluoromethyl)benzamide

C15H13F3N4O — CID 113038098

IUPACN-[6-(cyclopropylamino)pyridazin-3-yl]-4-(trifluoromethyl)benzamide
SMILESO=C(Nc1ccc(NC2CC2)nn1)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C15H13F3N4O/c16-15(17,18)10-3-1-9(2-4-10)14(23)20-13-8-7-12(21-22-13)19-11-5-6-11/h1-4,7-8,11H,5-6H2,(H,19,21)(H,20,22,23)
InChIKeyLEJIYJUAAIAXRN-UHFFFAOYSA-N
MW322.29 g/mol
LogP3.32
Rot. Bonds4

About N-[6-(cyclopropylamino)pyridazin-3-yl]-4-(trifluoromethyl)benzamide

N-[6-(cyclopropylamino)pyridazin-3-yl]-4-(trifluoromethyl)benzamide (PubChem CID 113038098) has the molecular formula C15H13F3N4O and a molecular weight of 322.29 g/mol. Its IUPAC name is N-[6-(cyclopropylamino)pyridazin-3-yl]-4-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[6-(cyclopropylamino)pyridazin-3-yl]-4-(trifluoromethyl)benzamide
PubChem CID113038098
Molecular FormulaC15H13F3N4O
Molecular Weight322.29 g/mol
Exact Mass322.10
IUPAC NameN-[6-(cyclopropylamino)pyridazin-3-yl]-4-(trifluoromethyl)benzamide
SMILESO=C(Nc1ccc(NC2CC2)nn1)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C15H13F3N4O/c16-15(17,18)10-3-1-9(2-4-10)14(23)20-13-8-7-12(21-22-13)19-11-5-6-11/h1-4,7-8,11H,5-6H2,(H,19,21)(H,20,22,23)
InChIKeyLEJIYJUAAIAXRN-UHFFFAOYSA-N
XLogP3.32
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.29
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-tert-butyl-N-[6-(cyclopropylamino)pyridazin-3-yl]benzamide
CID 113038068
4-bromo-N-[6-(cyclopropylamino)pyridazin-3-yl]benzamide
CID 113038059
N-[6-(cyclopropylamino)pyridazin-3-yl]-4-methylbenzamide
CID 113038053
N-[6-(cyclopentylamino)pyridazin-3-yl]benzamide
CID 113038827
N-[6-(cycloheptylamino)pyridazin-3-yl]-4-methylbenzamide
CID 113044373
N-[6-(cyclopropylamino)pyridazin-3-yl]-2-fluorobenzamide
CID 113038054
N-[6-(2,6-difluoroanilino)pyridazin-3-yl]-4-(trifluoromethyl)benzamide
CID 113051572
N-[6-(2-methylpropylamino)pyridazin-3-yl]-4-(trifluoromethyl)benzamide
CID 113038491
N-[6-[(1,1-dioxothiolan-3-yl)amino]-3-pyridinyl]-4-(trifluoromethyl)benzamide
CID 113013624
5-(cyclopropylamino)-N-[4-(trifluoromethyl)phenyl]pyrazine-2-carboxamide
CID 109271889
N-[6-[(2-methylphenyl)methylamino]pyridazin-3-yl]-4-(trifluoromethyl)benzamide
CID 113040911
3-chloro-N-[6-(cycloheptylamino)pyridazin-3-yl]benzamide
CID 113044397

Frequently Asked Questions

What is the IUPAC name of N-[6-(cyclopropylamino)pyridazin-3-yl]-4-(trifluoromethyl)benzamide?
The IUPAC name of N-[6-(cyclopropylamino)pyridazin-3-yl]-4-(trifluoromethyl)benzamide (CID 113038098) is N-[6-(cyclopropylamino)pyridazin-3-yl]-4-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[6-(cyclopropylamino)pyridazin-3-yl]-4-(trifluoromethyl)benzamide?
The canonical SMILES for N-[6-(cyclopropylamino)pyridazin-3-yl]-4-(trifluoromethyl)benzamide is O=C(Nc1ccc(NC2CC2)nn1)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of N-[6-(cyclopropylamino)pyridazin-3-yl]-4-(trifluoromethyl)benzamide?
The InChIKey is LEJIYJUAAIAXRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13F3N4O/c16-15(17,18)10-3-1-9(2-4-10)14(23)20-13-8-7-12(21-22-13)19-11-5-6-11/h1-4,7-8,11H,5-6H2,(H,19,21)(H,20,22,23).
What are the key properties of N-[6-(cyclopropylamino)pyridazin-3-yl]-4-(trifluoromethyl)benzamide?
N-[6-(cyclopropylamino)pyridazin-3-yl]-4-(trifluoromethyl)benzamide has a molecular weight of 322.29 g/mol, XLogP of 3.32, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(cyclopropylamino)pyridazin-3-yl]-4-(trifluoromethyl)benzamide is sourced from PubChem (CID 113038098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).