6-[3-[(3-chloro-4-pyridinyl)oxy]pyrrolidin-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine

C14H13ClN6O — CID 166603493

IUPAC6-[3-[(3-chloro-4-pyridinyl)oxy]pyrrolidin-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine
SMILESClc1cnccc1OC1CCN(c2ccc3nncn3n2)C1
InChIInChI=1S/C14H13ClN6O/c15-11-7-16-5-3-12(11)22-10-4-6-20(8-10)14-2-1-13-18-17-9-21(13)19-14/h1-3,5,7,9-10H,4,6,8H2
InChIKeyDGJKWQUOKINWST-UHFFFAOYSA-N
MW316.75 g/mol
LogP1.83
Rot. Bonds3

About 6-[3-[(3-chloro-4-pyridinyl)oxy]pyrrolidin-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine

6-[3-[(3-chloro-4-pyridinyl)oxy]pyrrolidin-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine (PubChem CID 166603493) has the molecular formula C14H13ClN6O and a molecular weight of 316.75 g/mol. Its IUPAC name is 6-[3-[(3-chloro-4-pyridinyl)oxy]pyrrolidin-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine.

Molecular Properties

Compound Name6-[3-[(3-chloro-4-pyridinyl)oxy]pyrrolidin-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine
PubChem CID166603493
Molecular FormulaC14H13ClN6O
Molecular Weight316.75 g/mol
Exact Mass316.08
IUPAC Name6-[3-[(3-chloro-4-pyridinyl)oxy]pyrrolidin-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine
SMILESClc1cnccc1OC1CCN(c2ccc3nncn3n2)C1
InChIInChI=1S/C14H13ClN6O/c15-11-7-16-5-3-12(11)22-10-4-6-20(8-10)14-2-1-13-18-17-9-21(13)19-14/h1-3,5,7,9-10H,4,6,8H2
InChIKeyDGJKWQUOKINWST-UHFFFAOYSA-N
XLogP1.83
TPSA68.44 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.75
LogP ≤ 51.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 6-[3-[(3-chloro-4-pyridinyl)oxy]pyrrolidin-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine with MolForge

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Related Compounds

2-[3-[(3-chloro-4-pyridinyl)oxy]pyrrolidin-1-yl]pyrazine
CID 166605850
6-[4-(5-fluoropyrimidin-2-yl)oxypiperidin-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine
CID 139029268
3-chloro-4-[1-[2-(trifluoromethyl)-4-pyridinyl]pyrrolidin-3-yl]oxypyridine
CID 166605932
7-[3-[(3-chloro-4-pyridinyl)oxy]pyrrolidin-1-yl]thieno[3,2-b]pyridine
CID 166603629
6-(3-pyrazol-1-ylpyrrolidin-1-yl)-[1,2,4]triazolo[4,3-b]pyridazine
CID 126946427
1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidin-3-amine
CID 131631786
N-[1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)pyrrolidin-3-yl]pyridine-3-carboxamide
CID 119105633
tert-butyl 3-[(3-chloro-4-pyridinyl)oxy]pyrrolidine-1-carboxylate
CID 172892748
2-chloro-N-[(3R)-1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)pyrrolidin-3-yl]benzamide
CID 129357131
1-[3-[(3-chloro-4-pyridinyl)oxy]pyrrolidin-1-yl]-2-ethoxyethanone
CID 119100246
4-[(3-chloro-4-pyridinyl)oxy]-N,N-dimethylpiperidine-1-sulfonamide
CID 119100618
2-chloro-1-[3-[(3-chloro-4-pyridinyl)oxy]piperidin-1-yl]ethanone
CID 122256173

Frequently Asked Questions

What is the IUPAC name of 6-[3-[(3-chloro-4-pyridinyl)oxy]pyrrolidin-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine?
The IUPAC name of 6-[3-[(3-chloro-4-pyridinyl)oxy]pyrrolidin-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine (CID 166603493) is 6-[3-[(3-chloro-4-pyridinyl)oxy]pyrrolidin-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine.
What is the SMILES notation for 6-[3-[(3-chloro-4-pyridinyl)oxy]pyrrolidin-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine?
The canonical SMILES for 6-[3-[(3-chloro-4-pyridinyl)oxy]pyrrolidin-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine is Clc1cnccc1OC1CCN(c2ccc3nncn3n2)C1.
What is the InChIKey of 6-[3-[(3-chloro-4-pyridinyl)oxy]pyrrolidin-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine?
The InChIKey is DGJKWQUOKINWST-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClN6O/c15-11-7-16-5-3-12(11)22-10-4-6-20(8-10)14-2-1-13-18-17-9-21(13)19-14/h1-3,5,7,9-10H,4,6,8H2.
What are the key properties of 6-[3-[(3-chloro-4-pyridinyl)oxy]pyrrolidin-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine?
6-[3-[(3-chloro-4-pyridinyl)oxy]pyrrolidin-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine has a molecular weight of 316.75 g/mol, XLogP of 1.83, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-[(3-chloro-4-pyridinyl)oxy]pyrrolidin-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine is sourced from PubChem (CID 166603493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).