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

C15H20N6 — CID 154830579

IUPAC6-[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
SMILESc1cc2nncn2nc1N1CC(N2CC3CCCC3C2)C1
InChIInChI=1S/C15H20N6/c1-2-11-6-19(7-12(11)3-1)13-8-20(9-13)15-5-4-14-17-16-10-21(14)18-15/h4-5,10-13H,1-3,6-9H2
InChIKeyXTMOVMDNKMEIEP-UHFFFAOYSA-N
MW284.37 g/mol
LogP1.04
Rot. Bonds2

About 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

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 (PubChem CID 154830579) has the molecular formula C15H20N6 and a molecular weight of 284.37 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name6-[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
PubChem CID154830579
Molecular FormulaC15H20N6
Molecular Weight284.37 g/mol
Exact Mass284.17
IUPAC Name6-[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
SMILESc1cc2nncn2nc1N1CC(N2CC3CCCC3C2)C1
InChIInChI=1S/C15H20N6/c1-2-11-6-19(7-12(11)3-1)13-8-20(9-13)15-5-4-14-17-16-10-21(14)18-15/h4-5,10-13H,1-3,6-9H2
InChIKeyXTMOVMDNKMEIEP-UHFFFAOYSA-N
XLogP1.04
TPSA49.56 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.37
LogP ≤ 51.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 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 with MolForge

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Related Compounds

6-[3-(4-propan-2-ylpiperazin-1-yl)azetidin-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine
CID 126892258
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-(3,6-diazabicyclo[3.1.1]heptan-3-yl)-[1,2,4]triazolo[4,3-b]pyridazine
CID 172880430
1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidin-3-amine
CID 131631786
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-pyrazol-1-ylpyrrolidin-1-yl)-[1,2,4]triazolo[4,3-b]pyridazine
CID 126946427
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-methyl-N-[1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidin-3-yl]methanesulfonamide
CID 166603584
N-methyl-N-[1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]methanesulfonamide
CID 126920465
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
1-[3-[[methyl-[1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]amino]methyl]piperidin-1-yl]ethanone
CID 126920676
6-[3-[(2-methyl-4-pyridinyl)oxy]azetidin-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine
CID 146074575

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is c1cc2nncn2nc1N1CC(N2CC3CCCC3C2)C1.
What is the InChIKey of 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?
The InChIKey is XTMOVMDNKMEIEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N6/c1-2-11-6-19(7-12(11)3-1)13-8-20(9-13)15-5-4-14-17-16-10-21(14)18-15/h4-5,10-13H,1-3,6-9H2.
What are the key properties of 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?
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 has a molecular weight of 284.37 g/mol, XLogP of 1.04, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 154830579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).