1-[2-methyl-1-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrol-5-yl]ethanone

C15H20N6O — CID 154580429

IUPAC1-[2-methyl-1-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrol-5-yl]ethanone
SMILESCC(=O)N1CC2CC(C)N(c3ccc4nnc(C)n4n3)C2C1
InChIInChI=1S/C15H20N6O/c1-9-6-12-7-19(11(3)22)8-13(12)20(9)15-5-4-14-17-16-10(2)21(14)18-15/h4-5,9,12-13H,6-8H2,1-3H3
InChIKeyKNOIVOHEVZKIGB-UHFFFAOYSA-N
MW300.37 g/mol
LogP0.88
Rot. Bonds1

About 1-[2-methyl-1-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrol-5-yl]ethanone

1-[2-methyl-1-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrol-5-yl]ethanone (PubChem CID 154580429) has the molecular formula C15H20N6O and a molecular weight of 300.37 g/mol. Its IUPAC name is 1-[2-methyl-1-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrol-5-yl]ethanone.

Molecular Properties

Compound Name1-[2-methyl-1-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrol-5-yl]ethanone
PubChem CID154580429
Molecular FormulaC15H20N6O
Molecular Weight300.37 g/mol
Exact Mass300.17
IUPAC Name1-[2-methyl-1-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrol-5-yl]ethanone
SMILESCC(=O)N1CC2CC(C)N(c3ccc4nnc(C)n4n3)C2C1
InChIInChI=1S/C15H20N6O/c1-9-6-12-7-19(11(3)22)8-13(12)20(9)15-5-4-14-17-16-10(2)21(14)18-15/h4-5,9,12-13H,6-8H2,1-3H3
InChIKeyKNOIVOHEVZKIGB-UHFFFAOYSA-N
XLogP0.88
TPSA66.63 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.37
LogP ≤ 50.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 1-[2-methyl-1-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrol-5-yl]ethanone with MolForge

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Related Compounds

1-(2-methyl-1-pyrido[3,4-d]pyrimidin-4-yl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrol-5-yl)ethanone
CID 154582418
1-[1-(1,3-benzoxazol-2-yl)-2-methyl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrol-5-yl]ethanone
CID 154580430
1-[1-(7-fluoroquinazolin-4-yl)-2-methyl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrol-5-yl]ethanone
CID 154582539
2-(2-bromophenyl)-1-[2-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]ethanone
CID 154883789
(2-methylsulfonylphenyl)-[2-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]methanone
CID 154854172
4,4,4-trifluoro-1-[2-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]butan-1-one
CID 154883649
(4-cyclopropylsulfonylpiperazin-1-yl)-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)methanone
CID 146079211
3-methyl-6-[4-[(3R)-3-methylpiperidin-1-yl]sulfonylpiperazin-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine
CID 97253244
(3-fluoro-4-methoxyphenyl)-[2-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]methanone
CID 154883811
3-methyl-6-pyrrolidin-1-yl-[1,2,4]triazolo[4,3-b]pyridazine
CID 869579
3-(4-methoxyphenyl)-1-[2-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]propan-1-one
CID 154883816
[(1S,2R)-2-aminocyclopentyl]-[4-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperazin-1-yl]methanone
CID 124696197

Frequently Asked Questions

What is the IUPAC name of 1-[2-methyl-1-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrol-5-yl]ethanone?
The IUPAC name of 1-[2-methyl-1-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrol-5-yl]ethanone (CID 154580429) is 1-[2-methyl-1-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrol-5-yl]ethanone.
What is the SMILES notation for 1-[2-methyl-1-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrol-5-yl]ethanone?
The canonical SMILES for 1-[2-methyl-1-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrol-5-yl]ethanone is CC(=O)N1CC2CC(C)N(c3ccc4nnc(C)n4n3)C2C1.
What is the InChIKey of 1-[2-methyl-1-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrol-5-yl]ethanone?
The InChIKey is KNOIVOHEVZKIGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N6O/c1-9-6-12-7-19(11(3)22)8-13(12)20(9)15-5-4-14-17-16-10(2)21(14)18-15/h4-5,9,12-13H,6-8H2,1-3H3.
What are the key properties of 1-[2-methyl-1-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrol-5-yl]ethanone?
1-[2-methyl-1-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrol-5-yl]ethanone has a molecular weight of 300.37 g/mol, XLogP of 0.88, 1 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-methyl-1-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrol-5-yl]ethanone is sourced from PubChem (CID 154580429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).