morpholin-4-yl-[6-(2-propan-2-ylanilino)pyridazin-3-yl]methanone

C18H22N4O2 — CID 109114707

IUPACmorpholin-4-yl-[6-(2-propan-2-ylanilino)pyridazin-3-yl]methanone
SMILESCC(C)c1ccccc1Nc1ccc(C(=O)N2CCOCC2)nn1
InChIInChI=1S/C18H22N4O2/c1-13(2)14-5-3-4-6-15(14)19-17-8-7-16(20-21-17)18(23)22-9-11-24-12-10-22/h3-8,13H,9-12H2,1-2H3,(H,19,21)
InChIKeyNDMDMGHSFINSBJ-UHFFFAOYSA-N
MW326.40 g/mol
LogP2.82
Rot. Bonds4

About morpholin-4-yl-[6-(2-propan-2-ylanilino)pyridazin-3-yl]methanone

morpholin-4-yl-[6-(2-propan-2-ylanilino)pyridazin-3-yl]methanone (PubChem CID 109114707) has the molecular formula C18H22N4O2 and a molecular weight of 326.40 g/mol. Its IUPAC name is morpholin-4-yl-[6-(2-propan-2-ylanilino)pyridazin-3-yl]methanone.

Molecular Properties

Compound Namemorpholin-4-yl-[6-(2-propan-2-ylanilino)pyridazin-3-yl]methanone
PubChem CID109114707
Molecular FormulaC18H22N4O2
Molecular Weight326.40 g/mol
Exact Mass326.17
IUPAC Namemorpholin-4-yl-[6-(2-propan-2-ylanilino)pyridazin-3-yl]methanone
SMILESCC(C)c1ccccc1Nc1ccc(C(=O)N2CCOCC2)nn1
InChIInChI=1S/C18H22N4O2/c1-13(2)14-5-3-4-6-15(14)19-17-8-7-16(20-21-17)18(23)22-9-11-24-12-10-22/h3-8,13H,9-12H2,1-2H3,(H,19,21)
InChIKeyNDMDMGHSFINSBJ-UHFFFAOYSA-N
XLogP2.82
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

morpholin-4-yl-[6-[2-(trifluoromethyl)anilino]pyridazin-3-yl]methanone
CID 109114740
[6-(methylamino)pyridazin-3-yl]-morpholin-4-ylmethanone
CID 62172695
N-(2-propan-2-ylphenyl)morpholine-4-carboxamide
CID 3684146
1-[4-[6-(2-methylanilino)pyridazine-3-carbonyl]piperazin-1-yl]ethanone
CID 109117262
[6-(4-bromoanilino)pyridazin-3-yl]-morpholin-4-ylmethanone
CID 109114727
[6-(2-chloroanilino)pyridazin-3-yl]-pyrrolidin-1-ylmethanone
CID 109111996
1-[3-[[6-(morpholine-4-carbonyl)pyridazin-3-yl]amino]phenyl]ethanone
CID 109114743
[2-methyl-6-(2-propan-2-ylanilino)pyrimidin-4-yl]-pyrrolidin-1-ylmethanone
CID 109362973
[6-(3,4-difluoroanilino)pyridazin-3-yl]-morpholin-4-ylmethanone
CID 109114795
N-(5-methyl-1,2-oxazol-3-yl)-6-(2-propan-2-ylanilino)pyridazine-3-carboxamide
CID 109128180
[6-(2,3-dichloroanilino)pyridazin-3-yl]-(4-methylpiperazin-1-yl)methanone
CID 109116455
[6-(2-chloroanilino)pyridazin-3-yl]-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone
CID 109123610

Frequently Asked Questions

What is the IUPAC name of morpholin-4-yl-[6-(2-propan-2-ylanilino)pyridazin-3-yl]methanone?
The IUPAC name of morpholin-4-yl-[6-(2-propan-2-ylanilino)pyridazin-3-yl]methanone (CID 109114707) is morpholin-4-yl-[6-(2-propan-2-ylanilino)pyridazin-3-yl]methanone.
What is the SMILES notation for morpholin-4-yl-[6-(2-propan-2-ylanilino)pyridazin-3-yl]methanone?
The canonical SMILES for morpholin-4-yl-[6-(2-propan-2-ylanilino)pyridazin-3-yl]methanone is CC(C)c1ccccc1Nc1ccc(C(=O)N2CCOCC2)nn1.
What is the InChIKey of morpholin-4-yl-[6-(2-propan-2-ylanilino)pyridazin-3-yl]methanone?
The InChIKey is NDMDMGHSFINSBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O2/c1-13(2)14-5-3-4-6-15(14)19-17-8-7-16(20-21-17)18(23)22-9-11-24-12-10-22/h3-8,13H,9-12H2,1-2H3,(H,19,21).
What are the key properties of morpholin-4-yl-[6-(2-propan-2-ylanilino)pyridazin-3-yl]methanone?
morpholin-4-yl-[6-(2-propan-2-ylanilino)pyridazin-3-yl]methanone has a molecular weight of 326.40 g/mol, XLogP of 2.82, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for morpholin-4-yl-[6-(2-propan-2-ylanilino)pyridazin-3-yl]methanone is sourced from PubChem (CID 109114707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).