[6-(3,4-difluoroanilino)pyridazin-3-yl]-morpholin-4-ylmethanone

C15H14F2N4O2 — CID 109114795

IUPAC[6-(3,4-difluoroanilino)pyridazin-3-yl]-morpholin-4-ylmethanone
SMILESO=C(c1ccc(Nc2ccc(F)c(F)c2)nn1)N1CCOCC1
InChIInChI=1S/C15H14F2N4O2/c16-11-2-1-10(9-12(11)17)18-14-4-3-13(19-20-14)15(22)21-5-7-23-8-6-21/h1-4,9H,5-8H2,(H,18,20)
InChIKeyBZFBWRYAJJIFQF-UHFFFAOYSA-N
MW320.30 g/mol
LogP1.97
Rot. Bonds3

About [6-(3,4-difluoroanilino)pyridazin-3-yl]-morpholin-4-ylmethanone

[6-(3,4-difluoroanilino)pyridazin-3-yl]-morpholin-4-ylmethanone (PubChem CID 109114795) has the molecular formula C15H14F2N4O2 and a molecular weight of 320.30 g/mol. Its IUPAC name is [6-(3,4-difluoroanilino)pyridazin-3-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[6-(3,4-difluoroanilino)pyridazin-3-yl]-morpholin-4-ylmethanone
PubChem CID109114795
Molecular FormulaC15H14F2N4O2
Molecular Weight320.30 g/mol
Exact Mass320.11
IUPAC Name[6-(3,4-difluoroanilino)pyridazin-3-yl]-morpholin-4-ylmethanone
SMILESO=C(c1ccc(Nc2ccc(F)c(F)c2)nn1)N1CCOCC1
InChIInChI=1S/C15H14F2N4O2/c16-11-2-1-10(9-12(11)17)18-14-4-3-13(19-20-14)15(22)21-5-7-23-8-6-21/h1-4,9H,5-8H2,(H,18,20)
InChIKeyBZFBWRYAJJIFQF-UHFFFAOYSA-N
XLogP1.97
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.30
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[6-(4-bromoanilino)pyridazin-3-yl]-morpholin-4-ylmethanone
CID 109114727
1-[3-[[6-(morpholine-4-carbonyl)pyridazin-3-yl]amino]phenyl]ethanone
CID 109114743
[6-(methylamino)pyridazin-3-yl]-morpholin-4-ylmethanone
CID 62172695
6-(3,4-difluoroanilino)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)pyridazine-3-carboxamide
CID 109130191
[6-(3-chloro-4-fluoroanilino)pyridazin-3-yl]-(4-ethylpiperazin-1-yl)methanone
CID 109116714
[6-(3-chloro-4-fluoroanilino)-2-pyridinyl]-morpholin-4-ylmethanone
CID 167862130
6-(3,4-difluoroanilino)-N-(2-methylpropyl)pyridazine-3-carboxamide
CID 109111343
morpholin-4-yl-[6-[2-(trifluoromethyl)anilino]pyridazin-3-yl]methanone
CID 109114740
[6-(4-chloroanilino)pyridazin-3-yl]-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone
CID 109123612
[6-(2,3-dihydro-1,4-benzodioxin-6-ylamino)pyridazin-3-yl]-(4-methylpiperidin-1-yl)methanone
CID 109113465
[6-(3-chloro-4-fluoroanilino)-2-methylpyrimidin-4-yl]-morpholin-4-ylmethanone
CID 109365604
6-(3,4-difluoroanilino)-N-(4-fluorophenyl)pyridazine-3-carboxamide
CID 109128571

Frequently Asked Questions

What is the IUPAC name of [6-(3,4-difluoroanilino)pyridazin-3-yl]-morpholin-4-ylmethanone?
The IUPAC name of [6-(3,4-difluoroanilino)pyridazin-3-yl]-morpholin-4-ylmethanone (CID 109114795) is [6-(3,4-difluoroanilino)pyridazin-3-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [6-(3,4-difluoroanilino)pyridazin-3-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [6-(3,4-difluoroanilino)pyridazin-3-yl]-morpholin-4-ylmethanone is O=C(c1ccc(Nc2ccc(F)c(F)c2)nn1)N1CCOCC1.
What is the InChIKey of [6-(3,4-difluoroanilino)pyridazin-3-yl]-morpholin-4-ylmethanone?
The InChIKey is BZFBWRYAJJIFQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F2N4O2/c16-11-2-1-10(9-12(11)17)18-14-4-3-13(19-20-14)15(22)21-5-7-23-8-6-21/h1-4,9H,5-8H2,(H,18,20).
What are the key properties of [6-(3,4-difluoroanilino)pyridazin-3-yl]-morpholin-4-ylmethanone?
[6-(3,4-difluoroanilino)pyridazin-3-yl]-morpholin-4-ylmethanone has a molecular weight of 320.30 g/mol, XLogP of 1.97, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(3,4-difluoroanilino)pyridazin-3-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 109114795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).