6-(3-pyrazol-1-ylpyrrolidin-1-yl)-[1,2,4]triazolo[4,3-b]pyridazine

C12H13N7 — CID 126946427

IUPAC6-(3-pyrazol-1-ylpyrrolidin-1-yl)-[1,2,4]triazolo[4,3-b]pyridazine
SMILESc1cnn(C2CCN(c3ccc4nncn4n3)C2)c1
InChIInChI=1S/C12H13N7/c1-5-14-18(6-1)10-4-7-17(8-10)12-3-2-11-15-13-9-19(11)16-12/h1-3,5-6,9-10H,4,7-8H2
InChIKeySTLCAVYEWRUJAG-UHFFFAOYSA-N
MW255.28 g/mol
LogP0.77
Rot. Bonds2

About 6-(3-pyrazol-1-ylpyrrolidin-1-yl)-[1,2,4]triazolo[4,3-b]pyridazine

6-(3-pyrazol-1-ylpyrrolidin-1-yl)-[1,2,4]triazolo[4,3-b]pyridazine (PubChem CID 126946427) has the molecular formula C12H13N7 and a molecular weight of 255.28 g/mol. Its IUPAC name is 6-(3-pyrazol-1-ylpyrrolidin-1-yl)-[1,2,4]triazolo[4,3-b]pyridazine.

Molecular Properties

Compound Name6-(3-pyrazol-1-ylpyrrolidin-1-yl)-[1,2,4]triazolo[4,3-b]pyridazine
PubChem CID126946427
Molecular FormulaC12H13N7
Molecular Weight255.28 g/mol
Exact Mass255.12
IUPAC Name6-(3-pyrazol-1-ylpyrrolidin-1-yl)-[1,2,4]triazolo[4,3-b]pyridazine
SMILESc1cnn(C2CCN(c3ccc4nncn4n3)C2)c1
InChIInChI=1S/C12H13N7/c1-5-14-18(6-1)10-4-7-17(8-10)12-3-2-11-15-13-9-19(11)16-12/h1-3,5-6,9-10H,4,7-8H2
InChIKeySTLCAVYEWRUJAG-UHFFFAOYSA-N
XLogP0.77
TPSA64.14 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.28
LogP ≤ 50.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidin-3-amine
CID 131631786
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
2-(3-pyrazol-1-ylpyrrolidin-1-yl)-5-(trifluoromethyl)pyridine
CID 126946416
6-(3-pyrazol-1-ylpyrrolidin-1-yl)pyridine-3-carbonitrile
CID 126946418
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-(3,6-diazabicyclo[3.1.1]heptan-3-yl)-[1,2,4]triazolo[4,3-b]pyridazine
CID 172880430
1-(2-chlorophenyl)-3-[1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)pyrrolidin-3-yl]urea
CID 121022910
6-[3-(4-propan-2-ylpiperazin-1-yl)azetidin-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine
CID 126892258
N-[1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)pyrrolidin-3-yl]pyridine-3-carboxamide
CID 119105633
6-[3-[(3-chloro-4-pyridinyl)oxy]pyrrolidin-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine
CID 166603493
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-(3-pyrazol-1-ylpiperidin-1-yl)pyridine
CID 133287338

Frequently Asked Questions

What is the IUPAC name of 6-(3-pyrazol-1-ylpyrrolidin-1-yl)-[1,2,4]triazolo[4,3-b]pyridazine?
The IUPAC name of 6-(3-pyrazol-1-ylpyrrolidin-1-yl)-[1,2,4]triazolo[4,3-b]pyridazine (CID 126946427) is 6-(3-pyrazol-1-ylpyrrolidin-1-yl)-[1,2,4]triazolo[4,3-b]pyridazine.
What is the SMILES notation for 6-(3-pyrazol-1-ylpyrrolidin-1-yl)-[1,2,4]triazolo[4,3-b]pyridazine?
The canonical SMILES for 6-(3-pyrazol-1-ylpyrrolidin-1-yl)-[1,2,4]triazolo[4,3-b]pyridazine is c1cnn(C2CCN(c3ccc4nncn4n3)C2)c1.
What is the InChIKey of 6-(3-pyrazol-1-ylpyrrolidin-1-yl)-[1,2,4]triazolo[4,3-b]pyridazine?
The InChIKey is STLCAVYEWRUJAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N7/c1-5-14-18(6-1)10-4-7-17(8-10)12-3-2-11-15-13-9-19(11)16-12/h1-3,5-6,9-10H,4,7-8H2.
What are the key properties of 6-(3-pyrazol-1-ylpyrrolidin-1-yl)-[1,2,4]triazolo[4,3-b]pyridazine?
6-(3-pyrazol-1-ylpyrrolidin-1-yl)-[1,2,4]triazolo[4,3-b]pyridazine has a molecular weight of 255.28 g/mol, XLogP of 0.77, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-pyrazol-1-ylpyrrolidin-1-yl)-[1,2,4]triazolo[4,3-b]pyridazine is sourced from PubChem (CID 126946427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).