N-cyclopropyl-6-[3-(trifluoromethyl)anilino]pyridazine-3-carboxamide

C15H13F3N4O — CID 109110127

IUPACN-cyclopropyl-6-[3-(trifluoromethyl)anilino]pyridazine-3-carboxamide
SMILESO=C(NC1CC1)c1ccc(Nc2cccc(C(F)(F)F)c2)nn1
InChIInChI=1S/C15H13F3N4O/c16-15(17,18)9-2-1-3-11(8-9)19-13-7-6-12(21-22-13)14(23)20-10-4-5-10/h1-3,6-8,10H,4-5H2,(H,19,22)(H,20,23)
InChIKeyMAUREPDCZDOLGX-UHFFFAOYSA-N
MW322.29 g/mol
LogP3.13
Rot. Bonds4

About N-cyclopropyl-6-[3-(trifluoromethyl)anilino]pyridazine-3-carboxamide

N-cyclopropyl-6-[3-(trifluoromethyl)anilino]pyridazine-3-carboxamide (PubChem CID 109110127) has the molecular formula C15H13F3N4O and a molecular weight of 322.29 g/mol. Its IUPAC name is N-cyclopropyl-6-[3-(trifluoromethyl)anilino]pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-6-[3-(trifluoromethyl)anilino]pyridazine-3-carboxamide
PubChem CID109110127
Molecular FormulaC15H13F3N4O
Molecular Weight322.29 g/mol
Exact Mass322.10
IUPAC NameN-cyclopropyl-6-[3-(trifluoromethyl)anilino]pyridazine-3-carboxamide
SMILESO=C(NC1CC1)c1ccc(Nc2cccc(C(F)(F)F)c2)nn1
InChIInChI=1S/C15H13F3N4O/c16-15(17,18)9-2-1-3-11(8-9)19-13-7-6-12(21-22-13)14(23)20-10-4-5-10/h1-3,6-8,10H,4-5H2,(H,19,22)(H,20,23)
InChIKeyMAUREPDCZDOLGX-UHFFFAOYSA-N
XLogP3.13
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 ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclopentyl-6-[3-(trifluoromethyl)anilino]pyridazine-3-carboxamide
CID 109112395
6-[3-(trifluoromethyl)anilino]pyridazine-3-carboxylic acid
CID 60790862
N-propan-2-yl-6-[3-(trifluoromethyl)anilino]pyridazine-3-carboxamide
CID 109109734
N-(4-fluorophenyl)-6-[3-(trifluoromethyl)anilino]pyridazine-3-carboxamide
CID 109128539
6-(3-fluoroanilino)-N-[3-(trifluoromethyl)phenyl]pyridazine-3-carboxamide
CID 109129760
N-(2-phenylethyl)-6-[3-(trifluoromethyl)anilino]pyridazine-3-carboxamide
CID 109121694
N-(oxolan-2-ylmethyl)-6-[3-(trifluoromethyl)anilino]pyridazine-3-carboxamide
CID 109115094
6-N-cyclopropyl-2-N-[3-(trifluoromethyl)phenyl]pyridine-2,6-dicarboxamide
CID 109093945
N-(2,4-difluorophenyl)-6-[3-(trifluoromethyl)anilino]pyridazine-3-carboxamide
CID 109129753
N-(pyridin-2-ylmethyl)-6-[3-(trifluoromethyl)anilino]pyridazine-3-carboxamide
CID 109120891
N-piperidin-4-yl-2-[3-(trifluoromethyl)anilino]benzamide
CID 119389365
N-(pyridin-3-ylmethyl)-6-[3-(trifluoromethyl)anilino]pyridazine-3-carboxamide
CID 109121178

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-6-[3-(trifluoromethyl)anilino]pyridazine-3-carboxamide?
The IUPAC name of N-cyclopropyl-6-[3-(trifluoromethyl)anilino]pyridazine-3-carboxamide (CID 109110127) is N-cyclopropyl-6-[3-(trifluoromethyl)anilino]pyridazine-3-carboxamide.
What is the SMILES notation for N-cyclopropyl-6-[3-(trifluoromethyl)anilino]pyridazine-3-carboxamide?
The canonical SMILES for N-cyclopropyl-6-[3-(trifluoromethyl)anilino]pyridazine-3-carboxamide is O=C(NC1CC1)c1ccc(Nc2cccc(C(F)(F)F)c2)nn1.
What is the InChIKey of N-cyclopropyl-6-[3-(trifluoromethyl)anilino]pyridazine-3-carboxamide?
The InChIKey is MAUREPDCZDOLGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13F3N4O/c16-15(17,18)9-2-1-3-11(8-9)19-13-7-6-12(21-22-13)14(23)20-10-4-5-10/h1-3,6-8,10H,4-5H2,(H,19,22)(H,20,23).
What are the key properties of N-cyclopropyl-6-[3-(trifluoromethyl)anilino]pyridazine-3-carboxamide?
N-cyclopropyl-6-[3-(trifluoromethyl)anilino]pyridazine-3-carboxamide has a molecular weight of 322.29 g/mol, XLogP of 3.13, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-6-[3-(trifluoromethyl)anilino]pyridazine-3-carboxamide is sourced from PubChem (CID 109110127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).