N-(oxolan-2-ylmethyl)-6-[3-(trifluoromethyl)anilino]pyridazine-3-carboxamide

C17H17F3N4O2 — CID 109115094

IUPACN-(oxolan-2-ylmethyl)-6-[3-(trifluoromethyl)anilino]pyridazine-3-carboxamide
SMILESO=C(NCC1CCCO1)c1ccc(Nc2cccc(C(F)(F)F)c2)nn1
InChIInChI=1S/C17H17F3N4O2/c18-17(19,20)11-3-1-4-12(9-11)22-15-7-6-14(23-24-15)16(25)21-10-13-5-2-8-26-13/h1,3-4,6-7,9,13H,2,5,8,10H2,(H,21,25)(H,22,24)
InChIKeySPROJVQVBLHVMK-UHFFFAOYSA-N
MW366.34 g/mol
LogP3.15
Rot. Bonds5

About N-(oxolan-2-ylmethyl)-6-[3-(trifluoromethyl)anilino]pyridazine-3-carboxamide

N-(oxolan-2-ylmethyl)-6-[3-(trifluoromethyl)anilino]pyridazine-3-carboxamide (PubChem CID 109115094) has the molecular formula C17H17F3N4O2 and a molecular weight of 366.34 g/mol. Its IUPAC name is N-(oxolan-2-ylmethyl)-6-[3-(trifluoromethyl)anilino]pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-(oxolan-2-ylmethyl)-6-[3-(trifluoromethyl)anilino]pyridazine-3-carboxamide
PubChem CID109115094
Molecular FormulaC17H17F3N4O2
Molecular Weight366.34 g/mol
Exact Mass366.13
IUPAC NameN-(oxolan-2-ylmethyl)-6-[3-(trifluoromethyl)anilino]pyridazine-3-carboxamide
SMILESO=C(NCC1CCCO1)c1ccc(Nc2cccc(C(F)(F)F)c2)nn1
InChIInChI=1S/C17H17F3N4O2/c18-17(19,20)11-3-1-4-12(9-11)22-15-7-6-14(23-24-15)16(25)21-10-13-5-2-8-26-13/h1,3-4,6-7,9,13H,2,5,8,10H2,(H,21,25)(H,22,24)
InChIKeySPROJVQVBLHVMK-UHFFFAOYSA-N
XLogP3.15
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.34
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-(4-fluoroanilino)-N-(oxolan-2-ylmethyl)pyridazine-3-carboxamide
CID 109115068
6-(3,5-dimethylanilino)-N-(oxolan-2-ylmethyl)pyridazine-3-carboxamide
CID 109115053
N-[2-oxo-2-[[(2S)-oxolan-2-yl]methylamino]ethyl]-2-[3-(trifluoromethyl)anilino]-1,3-thiazole-4-carboxamide
CID 93305053
N-cyclopentyl-6-[3-(trifluoromethyl)anilino]pyridazine-3-carboxamide
CID 109112395
N-cyclopropyl-6-[3-(trifluoromethyl)anilino]pyridazine-3-carboxamide
CID 109110127
N-(oxolan-2-ylmethyl)-6-[4-(trifluoromethyl)anilino]pyrimidine-4-carboxamide
CID 109343999
N-propan-2-yl-6-[3-(trifluoromethyl)anilino]pyridazine-3-carboxamide
CID 109109734
N-(2-phenylethyl)-6-[3-(trifluoromethyl)anilino]pyridazine-3-carboxamide
CID 109121694
6-(2-methyl-6-propan-2-ylanilino)-N-(oxolan-2-ylmethyl)pyridazine-3-carboxamide
CID 109115064
1-[[(2R)-oxolan-2-yl]methyl]-3-[3-(trifluoromethyl)phenyl]thiourea
CID 883340
6-[3-(trifluoromethyl)anilino]pyridazine-3-carboxylic acid
CID 60790862
N-(pyridin-2-ylmethyl)-6-[3-(trifluoromethyl)anilino]pyridazine-3-carboxamide
CID 109120891

Frequently Asked Questions

What is the IUPAC name of N-(oxolan-2-ylmethyl)-6-[3-(trifluoromethyl)anilino]pyridazine-3-carboxamide?
The IUPAC name of N-(oxolan-2-ylmethyl)-6-[3-(trifluoromethyl)anilino]pyridazine-3-carboxamide (CID 109115094) is N-(oxolan-2-ylmethyl)-6-[3-(trifluoromethyl)anilino]pyridazine-3-carboxamide.
What is the SMILES notation for N-(oxolan-2-ylmethyl)-6-[3-(trifluoromethyl)anilino]pyridazine-3-carboxamide?
The canonical SMILES for N-(oxolan-2-ylmethyl)-6-[3-(trifluoromethyl)anilino]pyridazine-3-carboxamide is O=C(NCC1CCCO1)c1ccc(Nc2cccc(C(F)(F)F)c2)nn1.
What is the InChIKey of N-(oxolan-2-ylmethyl)-6-[3-(trifluoromethyl)anilino]pyridazine-3-carboxamide?
The InChIKey is SPROJVQVBLHVMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17F3N4O2/c18-17(19,20)11-3-1-4-12(9-11)22-15-7-6-14(23-24-15)16(25)21-10-13-5-2-8-26-13/h1,3-4,6-7,9,13H,2,5,8,10H2,(H,21,25)(H,22,24).
What are the key properties of N-(oxolan-2-ylmethyl)-6-[3-(trifluoromethyl)anilino]pyridazine-3-carboxamide?
N-(oxolan-2-ylmethyl)-6-[3-(trifluoromethyl)anilino]pyridazine-3-carboxamide has a molecular weight of 366.34 g/mol, XLogP of 3.15, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(oxolan-2-ylmethyl)-6-[3-(trifluoromethyl)anilino]pyridazine-3-carboxamide is sourced from PubChem (CID 109115094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).