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

C15H16N8 — CID 155798898

IUPAC6-(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
SMILESc1cnc(N2CC3CN(c4ccc5nncn5n4)CC3C2)nc1
InChIInChI=1S/C15H16N8/c1-4-16-15(17-5-1)22-8-11-6-21(7-12(11)9-22)14-3-2-13-19-18-10-23(13)20-14/h1-5,10-12H,6-9H2
InChIKeyJCJQBPNSYGVHMB-UHFFFAOYSA-N
MW308.35 g/mol
LogP0.49
Rot. Bonds2

About 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

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 (PubChem CID 155798898) has the molecular formula C15H16N8 and a molecular weight of 308.35 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name6-(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
PubChem CID155798898
Molecular FormulaC15H16N8
Molecular Weight308.35 g/mol
Exact Mass308.15
IUPAC Name6-(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
SMILESc1cnc(N2CC3CN(c4ccc5nncn5n4)CC3C2)nc1
InChIInChI=1S/C15H16N8/c1-4-16-15(17-5-1)22-8-11-6-21(7-12(11)9-22)14-3-2-13-19-18-10-23(13)20-14/h1-5,10-12H,6-9H2
InChIKeyJCJQBPNSYGVHMB-UHFFFAOYSA-N
XLogP0.49
TPSA75.34 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.35
LogP ≤ 50.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 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 with MolForge

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Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is c1cnc(N2CC3CN(c4ccc5nncn5n4)CC3C2)nc1.
What is the InChIKey of 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?
The InChIKey is JCJQBPNSYGVHMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N8/c1-4-16-15(17-5-1)22-8-11-6-21(7-12(11)9-22)14-3-2-13-19-18-10-23(13)20-14/h1-5,10-12H,6-9H2.
What are the key properties of 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?
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 has a molecular weight of 308.35 g/mol, XLogP of 0.49, 2 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 155798898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).