6-[5-(4-methoxypyrimidin-2-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]-[1,2,4]triazolo[4,3-b]pyridazine

C16H18N8O — CID 146079208

IUPAC6-[5-(4-methoxypyrimidin-2-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]-[1,2,4]triazolo[4,3-b]pyridazine
SMILESCOc1ccnc(N2CC3CN(c4ccc5nncn5n4)CC3C2)n1
InChIInChI=1S/C16H18N8O/c1-25-15-4-5-17-16(19-15)23-8-11-6-22(7-12(11)9-23)14-3-2-13-20-18-10-24(13)21-14/h2-5,10-12H,6-9H2,1H3
InChIKeyVSPWKYFWKANXGW-UHFFFAOYSA-N
MW338.38 g/mol
LogP0.50
Rot. Bonds3

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

6-[5-(4-methoxypyrimidin-2-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]-[1,2,4]triazolo[4,3-b]pyridazine (PubChem CID 146079208) has the molecular formula C16H18N8O and a molecular weight of 338.38 g/mol. Its IUPAC name is 6-[5-(4-methoxypyrimidin-2-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]-[1,2,4]triazolo[4,3-b]pyridazine.

Molecular Properties

Compound Name6-[5-(4-methoxypyrimidin-2-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]-[1,2,4]triazolo[4,3-b]pyridazine
PubChem CID146079208
Molecular FormulaC16H18N8O
Molecular Weight338.38 g/mol
Exact Mass338.16
IUPAC Name6-[5-(4-methoxypyrimidin-2-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]-[1,2,4]triazolo[4,3-b]pyridazine
SMILESCOc1ccnc(N2CC3CN(c4ccc5nncn5n4)CC3C2)n1
InChIInChI=1S/C16H18N8O/c1-25-15-4-5-17-16(19-15)23-8-11-6-22(7-12(11)9-23)14-3-2-13-20-18-10-24(13)21-14/h2-5,10-12H,6-9H2,1H3
InChIKeyVSPWKYFWKANXGW-UHFFFAOYSA-N
XLogP0.50
TPSA84.57 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.38
LogP ≤ 50.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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

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Related Compounds

6-(5-pyrimidin-2-yl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl)-[1,2,4]triazolo[4,3-b]pyridazine
CID 155798898
6-(2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)-[1,2,4]triazolo[4,3-b]pyridazine
CID 121185358
2-tert-butyl-6-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]imidazo[1,2-b]pyridazine
CID 155974879
6-[3-[(2-methyl-4-pyridinyl)oxy]azetidin-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine
CID 146074575
6-(3,6-diazabicyclo[3.1.1]heptan-3-yl)-[1,2,4]triazolo[4,3-b]pyridazine
CID 172880430
6-[4-(5-methoxypyrimidin-2-yl)piperazin-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine
CID 171702464
2-(3,4-dimethoxyphenyl)-1-[2-([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 155799452
6-[3-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)azetidin-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine
CID 154830579
6-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]-2,3-dimethylimidazo[1,2-b]pyridazine
CID 163348421
1,3-thiazol-4-yl-[2-([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 154830813
5-(4-methoxypyrimidin-2-yl)-3a,4,6,6a-tetrahydropyrrolo[3,4-c]pyrrole-1,3-dione
CID 146078034
6-methoxy-3-[1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidin-4-yl]-[1,2,4]triazolo[4,3-b]pyridazine
CID 126911521

Frequently Asked Questions

What is the IUPAC name of 6-[5-(4-methoxypyrimidin-2-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]-[1,2,4]triazolo[4,3-b]pyridazine?
The IUPAC name of 6-[5-(4-methoxypyrimidin-2-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]-[1,2,4]triazolo[4,3-b]pyridazine (CID 146079208) is 6-[5-(4-methoxypyrimidin-2-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]-[1,2,4]triazolo[4,3-b]pyridazine.
What is the SMILES notation for 6-[5-(4-methoxypyrimidin-2-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]-[1,2,4]triazolo[4,3-b]pyridazine?
The canonical SMILES for 6-[5-(4-methoxypyrimidin-2-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]-[1,2,4]triazolo[4,3-b]pyridazine is COc1ccnc(N2CC3CN(c4ccc5nncn5n4)CC3C2)n1.
What is the InChIKey of 6-[5-(4-methoxypyrimidin-2-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]-[1,2,4]triazolo[4,3-b]pyridazine?
The InChIKey is VSPWKYFWKANXGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N8O/c1-25-15-4-5-17-16(19-15)23-8-11-6-22(7-12(11)9-23)14-3-2-13-20-18-10-24(13)21-14/h2-5,10-12H,6-9H2,1H3.
What are the key properties of 6-[5-(4-methoxypyrimidin-2-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]-[1,2,4]triazolo[4,3-b]pyridazine?
6-[5-(4-methoxypyrimidin-2-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]-[1,2,4]triazolo[4,3-b]pyridazine has a molecular weight of 338.38 g/mol, XLogP of 0.50, 3 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[5-(4-methoxypyrimidin-2-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]-[1,2,4]triazolo[4,3-b]pyridazine is sourced from PubChem (CID 146079208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).