3-methyl-6-[4-(6-morpholin-4-ylpyridazin-3-yl)piperazin-1-yl]-1,3-diazinane-2,4-dione

C17H25N7O3 — CID 167997196

IUPAC3-methyl-6-[4-(6-morpholin-4-ylpyridazin-3-yl)piperazin-1-yl]-1,3-diazinane-2,4-dione
SMILESCN1C(=O)CC(N2CCN(c3ccc(N4CCOCC4)nn3)CC2)NC1=O
InChIInChI=1S/C17H25N7O3/c1-21-16(25)12-15(18-17(21)26)23-6-4-22(5-7-23)13-2-3-14(20-19-13)24-8-10-27-11-9-24/h2-3,15H,4-12H2,1H3,(H,18,26)
InChIKeyAKPQJIVTHUOINY-UHFFFAOYSA-N
MW375.43 g/mol
LogP-0.67
Rot. Bonds3

About 3-methyl-6-[4-(6-morpholin-4-ylpyridazin-3-yl)piperazin-1-yl]-1,3-diazinane-2,4-dione

3-methyl-6-[4-(6-morpholin-4-ylpyridazin-3-yl)piperazin-1-yl]-1,3-diazinane-2,4-dione (PubChem CID 167997196) has the molecular formula C17H25N7O3 and a molecular weight of 375.43 g/mol. Its IUPAC name is 3-methyl-6-[4-(6-morpholin-4-ylpyridazin-3-yl)piperazin-1-yl]-1,3-diazinane-2,4-dione.

Molecular Properties

Compound Name3-methyl-6-[4-(6-morpholin-4-ylpyridazin-3-yl)piperazin-1-yl]-1,3-diazinane-2,4-dione
PubChem CID167997196
Molecular FormulaC17H25N7O3
Molecular Weight375.43 g/mol
Exact Mass375.20
IUPAC Name3-methyl-6-[4-(6-morpholin-4-ylpyridazin-3-yl)piperazin-1-yl]-1,3-diazinane-2,4-dione
SMILESCN1C(=O)CC(N2CCN(c3ccc(N4CCOCC4)nn3)CC2)NC1=O
InChIInChI=1S/C17H25N7O3/c1-21-16(25)12-15(18-17(21)26)23-6-4-22(5-7-23)13-2-3-14(20-19-13)24-8-10-27-11-9-24/h2-3,15H,4-12H2,1H3,(H,18,26)
InChIKeyAKPQJIVTHUOINY-UHFFFAOYSA-N
XLogP-0.67
TPSA94.14 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.43
LogP ≤ 5-0.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 3-methyl-6-[4-(6-morpholin-4-ylpyridazin-3-yl)piperazin-1-yl]-1,3-diazinane-2,4-dione with MolForge

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Related Compounds

3-methyl-6-[4-(2-morpholin-4-ylpyrimidin-4-yl)piperazin-1-yl]-1,3-diazinane-2,4-dione
CID 167997189
4-[6-[4-(6-methylpyridazin-3-yl)piperazin-1-yl]pyridazin-3-yl]morpholine
CID 155981001
6-[4-[6-(dimethylamino)pyridazin-3-yl]piperazin-1-yl]-1,3-dimethyl-1,3-diazinane-2,4-dione
CID 167997103
4-(6-ethylpyridazin-3-yl)morpholine
CID 118486685
oxan-4-yl-[4-(6-pyrrolidin-1-ylpyridazin-3-yl)piperazin-1-yl]methanone
CID 122334392
7,13-bis(6-chloropyridazin-3-yl)-1,4,10-trioxa-7,13-diazacyclopentadecane
CID 15123395
methyl 6-morpholin-4-ylpyridazine-3-carboxylate
CID 121206139
3-(4-bromophenyl)-6-[4-(4-fluorophenyl)piperazin-1-yl]-1,3-diazinane-2,4-dione
CID 73222047
4-[6-[4-(4-methylpyrimidin-2-yl)piperazin-1-yl]pyridazin-3-yl]morpholine
CID 146079475
6-(1,4-oxazepan-4-yl)pyridazine-3-carboxylic acid
CID 62973875
4-[6-[4-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperazin-1-yl]pyridazin-3-yl]morpholine
CID 122335366
4-[6-[4-(2-methoxyphenyl)sulfonylpiperazin-1-yl]pyridazin-3-yl]morpholine
CID 122335405

Frequently Asked Questions

What is the IUPAC name of 3-methyl-6-[4-(6-morpholin-4-ylpyridazin-3-yl)piperazin-1-yl]-1,3-diazinane-2,4-dione?
The IUPAC name of 3-methyl-6-[4-(6-morpholin-4-ylpyridazin-3-yl)piperazin-1-yl]-1,3-diazinane-2,4-dione (CID 167997196) is 3-methyl-6-[4-(6-morpholin-4-ylpyridazin-3-yl)piperazin-1-yl]-1,3-diazinane-2,4-dione.
What is the SMILES notation for 3-methyl-6-[4-(6-morpholin-4-ylpyridazin-3-yl)piperazin-1-yl]-1,3-diazinane-2,4-dione?
The canonical SMILES for 3-methyl-6-[4-(6-morpholin-4-ylpyridazin-3-yl)piperazin-1-yl]-1,3-diazinane-2,4-dione is CN1C(=O)CC(N2CCN(c3ccc(N4CCOCC4)nn3)CC2)NC1=O.
What is the InChIKey of 3-methyl-6-[4-(6-morpholin-4-ylpyridazin-3-yl)piperazin-1-yl]-1,3-diazinane-2,4-dione?
The InChIKey is AKPQJIVTHUOINY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N7O3/c1-21-16(25)12-15(18-17(21)26)23-6-4-22(5-7-23)13-2-3-14(20-19-13)24-8-10-27-11-9-24/h2-3,15H,4-12H2,1H3,(H,18,26).
What are the key properties of 3-methyl-6-[4-(6-morpholin-4-ylpyridazin-3-yl)piperazin-1-yl]-1,3-diazinane-2,4-dione?
3-methyl-6-[4-(6-morpholin-4-ylpyridazin-3-yl)piperazin-1-yl]-1,3-diazinane-2,4-dione has a molecular weight of 375.43 g/mol, XLogP of -0.67, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-6-[4-(6-morpholin-4-ylpyridazin-3-yl)piperazin-1-yl]-1,3-diazinane-2,4-dione is sourced from PubChem (CID 167997196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).