6-chloro-3-piperidin-2-yl-[1,2,4]triazolo[4,3-b]pyridazine

C10H12ClN5 — CID 84700446

IUPAC6-chloro-3-piperidin-2-yl-[1,2,4]triazolo[4,3-b]pyridazine
SMILESClc1ccc2nnc(C3CCCCN3)n2n1
InChIInChI=1S/C10H12ClN5/c11-8-4-5-9-13-14-10(16(9)15-8)7-3-1-2-6-12-7/h4-5,7,12H,1-3,6H2
InChIKeyDENRUDDOZLESCU-UHFFFAOYSA-N
MW237.69 g/mol
LogP1.59
Rot. Bonds1

About 6-chloro-3-piperidin-2-yl-[1,2,4]triazolo[4,3-b]pyridazine

6-chloro-3-piperidin-2-yl-[1,2,4]triazolo[4,3-b]pyridazine (PubChem CID 84700446) has the molecular formula C10H12ClN5 and a molecular weight of 237.69 g/mol. Its IUPAC name is 6-chloro-3-piperidin-2-yl-[1,2,4]triazolo[4,3-b]pyridazine.

Molecular Properties

Compound Name6-chloro-3-piperidin-2-yl-[1,2,4]triazolo[4,3-b]pyridazine
PubChem CID84700446
Molecular FormulaC10H12ClN5
Molecular Weight237.69 g/mol
Exact Mass237.08
IUPAC Name6-chloro-3-piperidin-2-yl-[1,2,4]triazolo[4,3-b]pyridazine
SMILESClc1ccc2nnc(C3CCCCN3)n2n1
InChIInChI=1S/C10H12ClN5/c11-8-4-5-9-13-14-10(16(9)15-8)7-3-1-2-6-12-7/h4-5,7,12H,1-3,6H2
InChIKeyDENRUDDOZLESCU-UHFFFAOYSA-N
XLogP1.59
TPSA55.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.69
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-(4-chlorophenyl)-3-[(2S)-piperidin-2-yl]-[1,2,4]triazolo[4,3-b]pyridazine
CID 99982464
6-methoxy-3-piperidin-2-yl-[1,2,4]triazolo[4,3-b]pyridazine
CID 84696751
6-phenyl-3-[(2S)-piperidin-2-yl]-[1,2,4]triazolo[4,3-b]pyridazine
CID 99982435
6-chloro-3-piperidin-2-yl-[1,2,4]triazolo[4,3-a]pyridine
CID 117139170
6-methoxy-3-pyrrolidin-2-yl-[1,2,4]triazolo[4,3-b]pyridazine;hydrochloride
CID 138987947
6-chloro-3-(thian-2-yl)-[1,2,4]triazolo[4,3-b]pyridazine
CID 80595030
6-chloro-3-pyrrolidin-2-yl-[1,2,4]triazolo[4,3-a]pyridine
CID 84750911
6-(3-bromophenyl)-3-[(2S)-pyrrolidin-2-yl]-[1,2,4]triazolo[4,3-b]pyridazine
CID 99982175
6-(3,4-dimethoxyphenyl)-3-pyrrolidin-2-yl-[1,2,4]triazolo[4,3-b]pyridazine
CID 102567910
6-chloro-3-(2,2-difluorocyclopropyl)-[1,2,4]triazolo[4,3-b]pyridazine
CID 134555460
3-piperidin-2-yl-[1,2,4]triazolo[4,3-a]pyridine
CID 24711632
3-(azepan-2-yl)-6-bromo-[1,2,4]triazolo[4,3-a]pyridine
CID 65348181

Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-piperidin-2-yl-[1,2,4]triazolo[4,3-b]pyridazine?
The IUPAC name of 6-chloro-3-piperidin-2-yl-[1,2,4]triazolo[4,3-b]pyridazine (CID 84700446) is 6-chloro-3-piperidin-2-yl-[1,2,4]triazolo[4,3-b]pyridazine.
What is the SMILES notation for 6-chloro-3-piperidin-2-yl-[1,2,4]triazolo[4,3-b]pyridazine?
The canonical SMILES for 6-chloro-3-piperidin-2-yl-[1,2,4]triazolo[4,3-b]pyridazine is Clc1ccc2nnc(C3CCCCN3)n2n1.
What is the InChIKey of 6-chloro-3-piperidin-2-yl-[1,2,4]triazolo[4,3-b]pyridazine?
The InChIKey is DENRUDDOZLESCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClN5/c11-8-4-5-9-13-14-10(16(9)15-8)7-3-1-2-6-12-7/h4-5,7,12H,1-3,6H2.
What are the key properties of 6-chloro-3-piperidin-2-yl-[1,2,4]triazolo[4,3-b]pyridazine?
6-chloro-3-piperidin-2-yl-[1,2,4]triazolo[4,3-b]pyridazine has a molecular weight of 237.69 g/mol, XLogP of 1.59, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3-piperidin-2-yl-[1,2,4]triazolo[4,3-b]pyridazine is sourced from PubChem (CID 84700446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).