6-(3,6-diazabicyclo[3.1.1]heptan-3-yl)-[1,2,4]triazolo[4,3-b]pyridazine

C10H12N6 — CID 172880430

IUPAC6-(3,6-diazabicyclo[3.1.1]heptan-3-yl)-[1,2,4]triazolo[4,3-b]pyridazine
SMILESc1cc2nncn2nc1N1CC2CC(C1)N2
InChIInChI=1S/C10H12N6/c1-2-10(14-16-6-11-13-9(1)16)15-4-7-3-8(5-15)12-7/h1-2,6-8,12H,3-5H2
InChIKeyCPGNUKHJXZPQEY-UHFFFAOYSA-N
MW216.25 g/mol
LogP-0.33
Rot. Bonds1

About 6-(3,6-diazabicyclo[3.1.1]heptan-3-yl)-[1,2,4]triazolo[4,3-b]pyridazine

6-(3,6-diazabicyclo[3.1.1]heptan-3-yl)-[1,2,4]triazolo[4,3-b]pyridazine (PubChem CID 172880430) has the molecular formula C10H12N6 and a molecular weight of 216.25 g/mol. Its IUPAC name is 6-(3,6-diazabicyclo[3.1.1]heptan-3-yl)-[1,2,4]triazolo[4,3-b]pyridazine.

Molecular Properties

Compound Name6-(3,6-diazabicyclo[3.1.1]heptan-3-yl)-[1,2,4]triazolo[4,3-b]pyridazine
PubChem CID172880430
Molecular FormulaC10H12N6
Molecular Weight216.25 g/mol
Exact Mass216.11
IUPAC Name6-(3,6-diazabicyclo[3.1.1]heptan-3-yl)-[1,2,4]triazolo[4,3-b]pyridazine
SMILESc1cc2nncn2nc1N1CC2CC(C1)N2
InChIInChI=1S/C10H12N6/c1-2-10(14-16-6-11-13-9(1)16)15-4-7-3-8(5-15)12-7/h1-2,6-8,12H,3-5H2
InChIKeyCPGNUKHJXZPQEY-UHFFFAOYSA-N
XLogP-0.33
TPSA58.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.25
LogP ≤ 5-0.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

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
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-[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
N-methyl-N-[1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]methanesulfonamide
CID 126920465
1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidin-3-amine
CID 131631786
6-[3-(4-propan-2-ylpiperazin-1-yl)azetidin-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine
CID 126892258
6-[6-[(2-bromophenyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-[1,2,4]triazolo[4,3-b]pyridazine
CID 172892634
N,6-dimethyl-N-[1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]pyridazin-3-amine
CID 126920500
5-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)-2-oxa-5-azabicyclo[2.2.1]heptane
CID 126853540
3-(6-chloropyridazin-3-yl)-3,6-diazabicyclo[3.1.1]heptane
CID 44590008
6-[3-[(2-methyl-4-pyridinyl)oxy]azetidin-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine
CID 146074575
N-methyl-N-[1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]-1H-imidazole-5-sulfonamide
CID 126920477

Frequently Asked Questions

What is the IUPAC name of 6-(3,6-diazabicyclo[3.1.1]heptan-3-yl)-[1,2,4]triazolo[4,3-b]pyridazine?
The IUPAC name of 6-(3,6-diazabicyclo[3.1.1]heptan-3-yl)-[1,2,4]triazolo[4,3-b]pyridazine (CID 172880430) is 6-(3,6-diazabicyclo[3.1.1]heptan-3-yl)-[1,2,4]triazolo[4,3-b]pyridazine.
What is the SMILES notation for 6-(3,6-diazabicyclo[3.1.1]heptan-3-yl)-[1,2,4]triazolo[4,3-b]pyridazine?
The canonical SMILES for 6-(3,6-diazabicyclo[3.1.1]heptan-3-yl)-[1,2,4]triazolo[4,3-b]pyridazine is c1cc2nncn2nc1N1CC2CC(C1)N2.
What is the InChIKey of 6-(3,6-diazabicyclo[3.1.1]heptan-3-yl)-[1,2,4]triazolo[4,3-b]pyridazine?
The InChIKey is CPGNUKHJXZPQEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N6/c1-2-10(14-16-6-11-13-9(1)16)15-4-7-3-8(5-15)12-7/h1-2,6-8,12H,3-5H2.
What are the key properties of 6-(3,6-diazabicyclo[3.1.1]heptan-3-yl)-[1,2,4]triazolo[4,3-b]pyridazine?
6-(3,6-diazabicyclo[3.1.1]heptan-3-yl)-[1,2,4]triazolo[4,3-b]pyridazine has a molecular weight of 216.25 g/mol, XLogP of -0.33, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3,6-diazabicyclo[3.1.1]heptan-3-yl)-[1,2,4]triazolo[4,3-b]pyridazine is sourced from PubChem (CID 172880430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).