[6-(N-methylanilino)pyridazin-3-yl]-morpholin-4-ylmethanone

C16H18N4O2 — CID 109114694

IUPAC[6-(N-methylanilino)pyridazin-3-yl]-morpholin-4-ylmethanone
SMILESCN(c1ccccc1)c1ccc(C(=O)N2CCOCC2)nn1
InChIInChI=1S/C16H18N4O2/c1-19(13-5-3-2-4-6-13)15-8-7-14(17-18-15)16(21)20-9-11-22-12-10-20/h2-8H,9-12H2,1H3
InChIKeyDFMRNSMBOPTOOX-UHFFFAOYSA-N
MW298.35 g/mol
LogP1.72
Rot. Bonds3

About [6-(N-methylanilino)pyridazin-3-yl]-morpholin-4-ylmethanone

[6-(N-methylanilino)pyridazin-3-yl]-morpholin-4-ylmethanone (PubChem CID 109114694) has the molecular formula C16H18N4O2 and a molecular weight of 298.35 g/mol. Its IUPAC name is [6-(N-methylanilino)pyridazin-3-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[6-(N-methylanilino)pyridazin-3-yl]-morpholin-4-ylmethanone
PubChem CID109114694
Molecular FormulaC16H18N4O2
Molecular Weight298.35 g/mol
Exact Mass298.14
IUPAC Name[6-(N-methylanilino)pyridazin-3-yl]-morpholin-4-ylmethanone
SMILESCN(c1ccccc1)c1ccc(C(=O)N2CCOCC2)nn1
InChIInChI=1S/C16H18N4O2/c1-19(13-5-3-2-4-6-13)15-8-7-14(17-18-15)16(21)20-9-11-22-12-10-20/h2-8H,9-12H2,1H3
InChIKeyDFMRNSMBOPTOOX-UHFFFAOYSA-N
XLogP1.72
TPSA58.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.35
LogP ≤ 51.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[6-[benzyl(methyl)amino]pyridazin-3-yl]-morpholin-4-ylmethanone
CID 109114629
6-(N-methylanilino)-N-(2-morpholin-4-ylphenyl)pyridazine-3-carboxamide
CID 109127197
[2-(N-methylanilino)pyrimidin-4-yl]-morpholin-4-ylmethanone
CID 109300595
[6-(N-ethyl-3-methylanilino)pyridazin-3-yl]-morpholin-4-ylmethanone
CID 109114792
[6-(N-ethylanilino)pyridazin-3-yl]-piperidin-1-ylmethanone
CID 109112719
[6-(methylamino)pyridazin-3-yl]-morpholin-4-ylmethanone
CID 62172695
[6-[benzyl(methyl)amino]pyridazin-3-yl]-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone
CID 109118954
4-[6-(N-ethylanilino)pyridazine-3-carbonyl]piperazine-1-carbaldehyde
CID 109116999
(6-chloropyridazin-3-yl)-(1,4-oxazepan-4-yl)methanone
CID 62974873
[6-[benzyl(methyl)amino]pyrimidin-4-yl]-morpholin-4-ylmethanone
CID 109343534
morpholin-4-yl-[6-(2-propan-2-ylanilino)pyridazin-3-yl]methanone
CID 109114707
[6-(N-methylanilino)pyrimidin-4-yl]-(4-methylpiperidin-1-yl)methanone
CID 109342398

Frequently Asked Questions

What is the IUPAC name of [6-(N-methylanilino)pyridazin-3-yl]-morpholin-4-ylmethanone?
The IUPAC name of [6-(N-methylanilino)pyridazin-3-yl]-morpholin-4-ylmethanone (CID 109114694) is [6-(N-methylanilino)pyridazin-3-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [6-(N-methylanilino)pyridazin-3-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [6-(N-methylanilino)pyridazin-3-yl]-morpholin-4-ylmethanone is CN(c1ccccc1)c1ccc(C(=O)N2CCOCC2)nn1.
What is the InChIKey of [6-(N-methylanilino)pyridazin-3-yl]-morpholin-4-ylmethanone?
The InChIKey is DFMRNSMBOPTOOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O2/c1-19(13-5-3-2-4-6-13)15-8-7-14(17-18-15)16(21)20-9-11-22-12-10-20/h2-8H,9-12H2,1H3.
What are the key properties of [6-(N-methylanilino)pyridazin-3-yl]-morpholin-4-ylmethanone?
[6-(N-methylanilino)pyridazin-3-yl]-morpholin-4-ylmethanone has a molecular weight of 298.35 g/mol, XLogP of 1.72, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(N-methylanilino)pyridazin-3-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 109114694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).