6-(4-chlorophenyl)-3-[(2S)-piperidin-2-yl]-[1,2,4]triazolo[4,3-b]pyridazine

C16H16ClN5 — CID 99982464

IUPAC6-(4-chlorophenyl)-3-[(2S)-piperidin-2-yl]-[1,2,4]triazolo[4,3-b]pyridazine
SMILESClc1ccc(-c2ccc3nnc([C@@H]4CCCCN4)n3n2)cc1
InChIInChI=1S/C16H16ClN5/c17-12-6-4-11(5-7-12)13-8-9-15-19-20-16(22(15)21-13)14-3-1-2-10-18-14/h4-9,14,18H,1-3,10H2/t14-/m0/s1
InChIKeyWUACSLUSLZPQIQ-AWEZNQCLSA-N
MW313.79 g/mol
LogP3.26
Rot. Bonds2

About 6-(4-chlorophenyl)-3-[(2S)-piperidin-2-yl]-[1,2,4]triazolo[4,3-b]pyridazine

6-(4-chlorophenyl)-3-[(2S)-piperidin-2-yl]-[1,2,4]triazolo[4,3-b]pyridazine (PubChem CID 99982464) has the molecular formula C16H16ClN5 and a molecular weight of 313.79 g/mol. Its IUPAC name is 6-(4-chlorophenyl)-3-[(2S)-piperidin-2-yl]-[1,2,4]triazolo[4,3-b]pyridazine.

Molecular Properties

Compound Name6-(4-chlorophenyl)-3-[(2S)-piperidin-2-yl]-[1,2,4]triazolo[4,3-b]pyridazine
PubChem CID99982464
Molecular FormulaC16H16ClN5
Molecular Weight313.79 g/mol
Exact Mass313.11
IUPAC Name6-(4-chlorophenyl)-3-[(2S)-piperidin-2-yl]-[1,2,4]triazolo[4,3-b]pyridazine
SMILESClc1ccc(-c2ccc3nnc([C@@H]4CCCCN4)n3n2)cc1
InChIInChI=1S/C16H16ClN5/c17-12-6-4-11(5-7-12)13-8-9-15-19-20-16(22(15)21-13)14-3-1-2-10-18-14/h4-9,14,18H,1-3,10H2/t14-/m0/s1
InChIKeyWUACSLUSLZPQIQ-AWEZNQCLSA-N
XLogP3.26
TPSA55.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.79
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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-b]pyridazine
CID 84700446
6-(3,4-dimethoxyphenyl)-3-pyrrolidin-2-yl-[1,2,4]triazolo[4,3-b]pyridazine
CID 102567910
6-chloro-3-piperidin-2-yl-[1,2,4]triazolo[4,3-a]pyridine
CID 117139170
6-(3-bromophenyl)-3-[(2S)-pyrrolidin-2-yl]-[1,2,4]triazolo[4,3-b]pyridazine
CID 99982175
6-methoxy-3-piperidin-2-yl-[1,2,4]triazolo[4,3-b]pyridazine
CID 84696751
6-chloro-3-pyrrolidin-2-yl-[1,2,4]triazolo[4,3-a]pyridine
CID 84750911
6-methoxy-3-pyrrolidin-2-yl-[1,2,4]triazolo[4,3-b]pyridazine;hydrochloride
CID 138987947
4-(4-chlorophenyl)-3-pyrrolidin-2-yl-1,2,4-triazole
CID 82480433
(2R)-2-(4-chlorophenyl)piperidine;hydrochloride
CID 155903197
3-piperidin-2-yl-[1,2,4]triazolo[4,3-a]pyridine
CID 24711632
5-(4-chlorophenyl)-3-piperidin-2-yl-1,2-oxazole
CID 46785780

Frequently Asked Questions

What is the IUPAC name of 6-(4-chlorophenyl)-3-[(2S)-piperidin-2-yl]-[1,2,4]triazolo[4,3-b]pyridazine?
The IUPAC name of 6-(4-chlorophenyl)-3-[(2S)-piperidin-2-yl]-[1,2,4]triazolo[4,3-b]pyridazine (CID 99982464) is 6-(4-chlorophenyl)-3-[(2S)-piperidin-2-yl]-[1,2,4]triazolo[4,3-b]pyridazine.
What is the SMILES notation for 6-(4-chlorophenyl)-3-[(2S)-piperidin-2-yl]-[1,2,4]triazolo[4,3-b]pyridazine?
The canonical SMILES for 6-(4-chlorophenyl)-3-[(2S)-piperidin-2-yl]-[1,2,4]triazolo[4,3-b]pyridazine is Clc1ccc(-c2ccc3nnc([C@@H]4CCCCN4)n3n2)cc1.
What is the InChIKey of 6-(4-chlorophenyl)-3-[(2S)-piperidin-2-yl]-[1,2,4]triazolo[4,3-b]pyridazine?
The InChIKey is WUACSLUSLZPQIQ-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H16ClN5/c17-12-6-4-11(5-7-12)13-8-9-15-19-20-16(22(15)21-13)14-3-1-2-10-18-14/h4-9,14,18H,1-3,10H2/t14-/m0/s1.
What are the key properties of 6-(4-chlorophenyl)-3-[(2S)-piperidin-2-yl]-[1,2,4]triazolo[4,3-b]pyridazine?
6-(4-chlorophenyl)-3-[(2S)-piperidin-2-yl]-[1,2,4]triazolo[4,3-b]pyridazine has a molecular weight of 313.79 g/mol, XLogP of 3.26, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-chlorophenyl)-3-[(2S)-piperidin-2-yl]-[1,2,4]triazolo[4,3-b]pyridazine is sourced from PubChem (CID 99982464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).