8-methyl-2-(6-phenylpyridazin-3-yl)-1,3,4,6,7,9a-hexahydropyrazino[1,2-a]pyrazin-9-one

C18H21N5O — CID 50972828

IUPAC8-methyl-2-(6-phenylpyridazin-3-yl)-1,3,4,6,7,9a-hexahydropyrazino[1,2-a]pyrazin-9-one
SMILESCN1CCN2CCN(c3ccc(-c4ccccc4)nn3)CC2C1=O
InChIInChI=1S/C18H21N5O/c1-21-9-10-22-11-12-23(13-16(22)18(21)24)17-8-7-15(19-20-17)14-5-3-2-4-6-14/h2-8,16H,9-13H2,1H3
InChIKeyVAUTUGSKPWEKQJ-UHFFFAOYSA-N
MW323.40 g/mol
LogP1.11
Rot. Bonds2

About 8-methyl-2-(6-phenylpyridazin-3-yl)-1,3,4,6,7,9a-hexahydropyrazino[1,2-a]pyrazin-9-one

8-methyl-2-(6-phenylpyridazin-3-yl)-1,3,4,6,7,9a-hexahydropyrazino[1,2-a]pyrazin-9-one (PubChem CID 50972828) has the molecular formula C18H21N5O and a molecular weight of 323.40 g/mol. Its IUPAC name is 8-methyl-2-(6-phenylpyridazin-3-yl)-1,3,4,6,7,9a-hexahydropyrazino[1,2-a]pyrazin-9-one.

Molecular Properties

Compound Name8-methyl-2-(6-phenylpyridazin-3-yl)-1,3,4,6,7,9a-hexahydropyrazino[1,2-a]pyrazin-9-one
PubChem CID50972828
Molecular FormulaC18H21N5O
Molecular Weight323.40 g/mol
Exact Mass323.17
IUPAC Name8-methyl-2-(6-phenylpyridazin-3-yl)-1,3,4,6,7,9a-hexahydropyrazino[1,2-a]pyrazin-9-one
SMILESCN1CCN2CCN(c3ccc(-c4ccccc4)nn3)CC2C1=O
InChIInChI=1S/C18H21N5O/c1-21-9-10-22-11-12-23(13-16(22)18(21)24)17-8-7-15(19-20-17)14-5-3-2-4-6-14/h2-8,16H,9-13H2,1H3
InChIKeyVAUTUGSKPWEKQJ-UHFFFAOYSA-N
XLogP1.11
TPSA52.57 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.40
LogP ≤ 51.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 8-methyl-2-(6-phenylpyridazin-3-yl)-1,3,4,6,7,9a-hexahydropyrazino[1,2-a]pyrazin-9-one with MolForge

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Related Compounds

1-(6-phenylpyridazin-3-yl)pyrrolidine-3-carboxylic acid
CID 116972743
2-methyl-5-(6-phenylpyridazin-3-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole;dihydrochloride
CID 67162119
2-[4-(6-phenylpyridazin-3-yl)piperazin-1-yl]acetic acid
CID 82167521
1-(6-phenylpyridazin-3-yl)piperidin-4-ol
CID 3022103
(3S,4R)-4-phenyl-1-(6-phenylpyridazin-3-yl)piperidin-3-ol
CID 162633912
N-benzyl-N-methyl-1-(6-phenylpyridazin-3-yl)pyrrolidin-3-amine
CID 46225105
5,5-dimethyl-2-(6-phenylpyridazin-3-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-ium iodide
CID 56667084
3-[4-(2-fluorophenyl)piperazin-1-yl]-6-phenylpyridazine
CID 29134956
2-ethyl-1-[4-(6-phenylpyridazin-3-yl)piperazin-1-yl]butan-1-one
CID 42110640
(5R)-6-methyl-2-(6-phenylpyridazin-3-yl)-2,6-diazabicyclo[3.2.0]heptane
CID 123603793
2-methyl-5-[4-(6-phenylpyridazin-3-yl)piperazin-1-yl]-1,3,4-thiadiazole
CID 108772733
(4-methylpiperidin-1-yl)-[1-(6-phenylpyridazin-3-yl)piperidin-3-yl]methanone
CID 53025387

Frequently Asked Questions

What is the IUPAC name of 8-methyl-2-(6-phenylpyridazin-3-yl)-1,3,4,6,7,9a-hexahydropyrazino[1,2-a]pyrazin-9-one?
The IUPAC name of 8-methyl-2-(6-phenylpyridazin-3-yl)-1,3,4,6,7,9a-hexahydropyrazino[1,2-a]pyrazin-9-one (CID 50972828) is 8-methyl-2-(6-phenylpyridazin-3-yl)-1,3,4,6,7,9a-hexahydropyrazino[1,2-a]pyrazin-9-one.
What is the SMILES notation for 8-methyl-2-(6-phenylpyridazin-3-yl)-1,3,4,6,7,9a-hexahydropyrazino[1,2-a]pyrazin-9-one?
The canonical SMILES for 8-methyl-2-(6-phenylpyridazin-3-yl)-1,3,4,6,7,9a-hexahydropyrazino[1,2-a]pyrazin-9-one is CN1CCN2CCN(c3ccc(-c4ccccc4)nn3)CC2C1=O.
What is the InChIKey of 8-methyl-2-(6-phenylpyridazin-3-yl)-1,3,4,6,7,9a-hexahydropyrazino[1,2-a]pyrazin-9-one?
The InChIKey is VAUTUGSKPWEKQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5O/c1-21-9-10-22-11-12-23(13-16(22)18(21)24)17-8-7-15(19-20-17)14-5-3-2-4-6-14/h2-8,16H,9-13H2,1H3.
What are the key properties of 8-methyl-2-(6-phenylpyridazin-3-yl)-1,3,4,6,7,9a-hexahydropyrazino[1,2-a]pyrazin-9-one?
8-methyl-2-(6-phenylpyridazin-3-yl)-1,3,4,6,7,9a-hexahydropyrazino[1,2-a]pyrazin-9-one has a molecular weight of 323.40 g/mol, XLogP of 1.11, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-2-(6-phenylpyridazin-3-yl)-1,3,4,6,7,9a-hexahydropyrazino[1,2-a]pyrazin-9-one is sourced from PubChem (CID 50972828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).