5-(5,6-dimethylpyrimidin-4-yl)-2-[6-(1,2,4-triazol-1-yl)pyrazin-2-yl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole

C18H21N9 — CID 126933592

IUPAC5-(5,6-dimethylpyrimidin-4-yl)-2-[6-(1,2,4-triazol-1-yl)pyrazin-2-yl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole
SMILESCc1ncnc(N2CC3CN(c4cncc(-n5cncn5)n4)CC3C2)c1C
InChIInChI=1S/C18H21N9/c1-12-13(2)21-10-22-18(12)26-7-14-5-25(6-15(14)8-26)16-3-19-4-17(24-16)27-11-20-9-23-27/h3-4,9-11,14-15H,5-8H2,1-2H3
InChIKeyAYNUSLNWCZLXND-UHFFFAOYSA-N
MW363.43 g/mol
LogP1.04
Rot. Bonds3

About 5-(5,6-dimethylpyrimidin-4-yl)-2-[6-(1,2,4-triazol-1-yl)pyrazin-2-yl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole

5-(5,6-dimethylpyrimidin-4-yl)-2-[6-(1,2,4-triazol-1-yl)pyrazin-2-yl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole (PubChem CID 126933592) has the molecular formula C18H21N9 and a molecular weight of 363.43 g/mol. Its IUPAC name is 5-(5,6-dimethylpyrimidin-4-yl)-2-[6-(1,2,4-triazol-1-yl)pyrazin-2-yl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole.

Molecular Properties

Compound Name5-(5,6-dimethylpyrimidin-4-yl)-2-[6-(1,2,4-triazol-1-yl)pyrazin-2-yl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole
PubChem CID126933592
Molecular FormulaC18H21N9
Molecular Weight363.43 g/mol
Exact Mass363.19
IUPAC Name5-(5,6-dimethylpyrimidin-4-yl)-2-[6-(1,2,4-triazol-1-yl)pyrazin-2-yl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole
SMILESCc1ncnc(N2CC3CN(c4cncc(-n5cncn5)n4)CC3C2)c1C
InChIInChI=1S/C18H21N9/c1-12-13(2)21-10-22-18(12)26-7-14-5-25(6-15(14)8-26)16-3-19-4-17(24-16)27-11-20-9-23-27/h3-4,9-11,14-15H,5-8H2,1-2H3
InChIKeyAYNUSLNWCZLXND-UHFFFAOYSA-N
XLogP1.04
TPSA88.75 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.43
LogP ≤ 51.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze 5-(5,6-dimethylpyrimidin-4-yl)-2-[6-(1,2,4-triazol-1-yl)pyrazin-2-yl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole with MolForge

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Related Compounds

5-(5,6-dimethylpyrimidin-4-yl)-2-pyrimidin-4-yl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole
CID 126933577
2-[3-(4-methylpyrazol-1-yl)pyrrolidin-1-yl]-6-(1,2,4-triazol-1-yl)pyrazine
CID 126947503
6-[5-(5,6-dimethylpyrimidin-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]-3-ethyl-[1,2,4]triazolo[4,3-b]pyridazine
CID 155980569
2-(5,6-dimethylpyrimidin-4-yl)-5-(1-methylpyrazol-4-yl)sulfonyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole
CID 126933437
4,5-dimethyl-6-[4-[6-(1-methylpyrazol-4-yl)pyrazin-2-yl]piperazin-1-yl]pyrimidine
CID 163351387
7-[5-(5,6-dimethylpyrimidin-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]-5-methylpyrazolo[1,5-a]pyrimidine
CID 126933616
2-(5,6-dimethylpyrimidin-4-yl)-5-(1-methylimidazol-4-yl)sulfonyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole
CID 126933353
4-[[5-(5,6-dimethylpyrimidin-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]methyl]-1,2-oxazole
CID 126933540
[2-(5,6-dimethylpyrimidin-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-(5-methyl-1H-pyrazol-3-yl)methanone
CID 126933338
3-[[5-(5,6-dimethylpyrimidin-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine
CID 126933453
2-[[5-(5,6-dimethylpyrimidin-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]methyl]-5,6-dihydro-4H-cyclopenta[d][1,3]oxazole
CID 126933521
1-[4-[1-[6-(1,2,4-triazol-1-yl)pyrimidin-4-yl]azetidine-3-carbonyl]piperazin-1-yl]ethanone
CID 121168434

Frequently Asked Questions

What is the IUPAC name of 5-(5,6-dimethylpyrimidin-4-yl)-2-[6-(1,2,4-triazol-1-yl)pyrazin-2-yl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole?
The IUPAC name of 5-(5,6-dimethylpyrimidin-4-yl)-2-[6-(1,2,4-triazol-1-yl)pyrazin-2-yl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole (CID 126933592) is 5-(5,6-dimethylpyrimidin-4-yl)-2-[6-(1,2,4-triazol-1-yl)pyrazin-2-yl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole.
What is the SMILES notation for 5-(5,6-dimethylpyrimidin-4-yl)-2-[6-(1,2,4-triazol-1-yl)pyrazin-2-yl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole?
The canonical SMILES for 5-(5,6-dimethylpyrimidin-4-yl)-2-[6-(1,2,4-triazol-1-yl)pyrazin-2-yl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole is Cc1ncnc(N2CC3CN(c4cncc(-n5cncn5)n4)CC3C2)c1C.
What is the InChIKey of 5-(5,6-dimethylpyrimidin-4-yl)-2-[6-(1,2,4-triazol-1-yl)pyrazin-2-yl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole?
The InChIKey is AYNUSLNWCZLXND-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N9/c1-12-13(2)21-10-22-18(12)26-7-14-5-25(6-15(14)8-26)16-3-19-4-17(24-16)27-11-20-9-23-27/h3-4,9-11,14-15H,5-8H2,1-2H3.
What are the key properties of 5-(5,6-dimethylpyrimidin-4-yl)-2-[6-(1,2,4-triazol-1-yl)pyrazin-2-yl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole?
5-(5,6-dimethylpyrimidin-4-yl)-2-[6-(1,2,4-triazol-1-yl)pyrazin-2-yl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole has a molecular weight of 363.43 g/mol, XLogP of 1.04, 3 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5,6-dimethylpyrimidin-4-yl)-2-[6-(1,2,4-triazol-1-yl)pyrazin-2-yl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole is sourced from PubChem (CID 126933592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).