[6-(3-methoxyanilino)-4-(trifluoromethyl)pyridazin-3-yl]-morpholin-4-ylmethanone

C17H17F3N4O3 — CID 56959919

IUPAC[6-(3-methoxyanilino)-4-(trifluoromethyl)pyridazin-3-yl]-morpholin-4-ylmethanone
SMILESCOc1cccc(Nc2cc(C(F)(F)F)c(C(=O)N3CCOCC3)nn2)c1
InChIInChI=1S/C17H17F3N4O3/c1-26-12-4-2-3-11(9-12)21-14-10-13(17(18,19)20)15(23-22-14)16(25)24-5-7-27-8-6-24/h2-4,9-10H,5-8H2,1H3,(H,21,22)
InChIKeyFPUQEROXDCDUAR-UHFFFAOYSA-N
MW382.34 g/mol
LogP2.72
Rot. Bonds4

About [6-(3-methoxyanilino)-4-(trifluoromethyl)pyridazin-3-yl]-morpholin-4-ylmethanone

[6-(3-methoxyanilino)-4-(trifluoromethyl)pyridazin-3-yl]-morpholin-4-ylmethanone (PubChem CID 56959919) has the molecular formula C17H17F3N4O3 and a molecular weight of 382.34 g/mol. Its IUPAC name is [6-(3-methoxyanilino)-4-(trifluoromethyl)pyridazin-3-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[6-(3-methoxyanilino)-4-(trifluoromethyl)pyridazin-3-yl]-morpholin-4-ylmethanone
PubChem CID56959919
Molecular FormulaC17H17F3N4O3
Molecular Weight382.34 g/mol
Exact Mass382.13
IUPAC Name[6-(3-methoxyanilino)-4-(trifluoromethyl)pyridazin-3-yl]-morpholin-4-ylmethanone
SMILESCOc1cccc(Nc2cc(C(F)(F)F)c(C(=O)N3CCOCC3)nn2)c1
InChIInChI=1S/C17H17F3N4O3/c1-26-12-4-2-3-11(9-12)21-14-10-13(17(18,19)20)15(23-22-14)16(25)24-5-7-27-8-6-24/h2-4,9-10H,5-8H2,1H3,(H,21,22)
InChIKeyFPUQEROXDCDUAR-UHFFFAOYSA-N
XLogP2.72
TPSA76.58 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.34
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [6-(3-methoxyanilino)-4-(trifluoromethyl)pyridazin-3-yl]-morpholin-4-ylmethanone?
The IUPAC name of [6-(3-methoxyanilino)-4-(trifluoromethyl)pyridazin-3-yl]-morpholin-4-ylmethanone (CID 56959919) is [6-(3-methoxyanilino)-4-(trifluoromethyl)pyridazin-3-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [6-(3-methoxyanilino)-4-(trifluoromethyl)pyridazin-3-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [6-(3-methoxyanilino)-4-(trifluoromethyl)pyridazin-3-yl]-morpholin-4-ylmethanone is COc1cccc(Nc2cc(C(F)(F)F)c(C(=O)N3CCOCC3)nn2)c1.
What is the InChIKey of [6-(3-methoxyanilino)-4-(trifluoromethyl)pyridazin-3-yl]-morpholin-4-ylmethanone?
The InChIKey is FPUQEROXDCDUAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17F3N4O3/c1-26-12-4-2-3-11(9-12)21-14-10-13(17(18,19)20)15(23-22-14)16(25)24-5-7-27-8-6-24/h2-4,9-10H,5-8H2,1H3,(H,21,22).
What are the key properties of [6-(3-methoxyanilino)-4-(trifluoromethyl)pyridazin-3-yl]-morpholin-4-ylmethanone?
[6-(3-methoxyanilino)-4-(trifluoromethyl)pyridazin-3-yl]-morpholin-4-ylmethanone has a molecular weight of 382.34 g/mol, XLogP of 2.72, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(3-methoxyanilino)-4-(trifluoromethyl)pyridazin-3-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 56959919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).