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

C16H17N5 — CID 99982435

IUPAC6-phenyl-3-[(2S)-piperidin-2-yl]-[1,2,4]triazolo[4,3-b]pyridazine
SMILESc1ccc(-c2ccc3nnc([C@@H]4CCCCN4)n3n2)cc1
InChIInChI=1S/C16H17N5/c1-2-6-12(7-3-1)13-9-10-15-18-19-16(21(15)20-13)14-8-4-5-11-17-14/h1-3,6-7,9-10,14,17H,4-5,8,11H2/t14-/m0/s1
InChIKeyCKFQYIPETRGZKQ-AWEZNQCLSA-N
MW279.35 g/mol
LogP2.61
Rot. Bonds2

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

6-phenyl-3-[(2S)-piperidin-2-yl]-[1,2,4]triazolo[4,3-b]pyridazine (PubChem CID 99982435) has the molecular formula C16H17N5 and a molecular weight of 279.35 g/mol. Its IUPAC name is 6-phenyl-3-[(2S)-piperidin-2-yl]-[1,2,4]triazolo[4,3-b]pyridazine.

Molecular Properties

Compound Name6-phenyl-3-[(2S)-piperidin-2-yl]-[1,2,4]triazolo[4,3-b]pyridazine
PubChem CID99982435
Molecular FormulaC16H17N5
Molecular Weight279.35 g/mol
Exact Mass279.15
IUPAC Name6-phenyl-3-[(2S)-piperidin-2-yl]-[1,2,4]triazolo[4,3-b]pyridazine
SMILESc1ccc(-c2ccc3nnc([C@@H]4CCCCN4)n3n2)cc1
InChIInChI=1S/C16H17N5/c1-2-6-12(7-3-1)13-9-10-15-18-19-16(21(15)20-13)14-8-4-5-11-17-14/h1-3,6-7,9-10,14,17H,4-5,8,11H2/t14-/m0/s1
InChIKeyCKFQYIPETRGZKQ-AWEZNQCLSA-N
XLogP2.61
TPSA55.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.35
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 6-phenyl-3-[(2S)-piperidin-2-yl]-[1,2,4]triazolo[4,3-b]pyridazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-(4-chlorophenyl)-3-[(2S)-piperidin-2-yl]-[1,2,4]triazolo[4,3-b]pyridazine
CID 99982464
6-(3-bromophenyl)-3-[(2S)-pyrrolidin-2-yl]-[1,2,4]triazolo[4,3-b]pyridazine
CID 99982175
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-methoxy-3-piperidin-2-yl-[1,2,4]triazolo[4,3-b]pyridazine
CID 84696751
3-piperidin-2-yl-[1,2,4]triazolo[4,3-a]pyridine
CID 24711632
6-methoxy-3-pyrrolidin-2-yl-[1,2,4]triazolo[4,3-b]pyridazine;hydrochloride
CID 138987947
3-phenyl-6-piperidin-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
CID 114353243
6-chloro-3-piperidin-2-yl-[1,2,4]triazolo[4,3-a]pyridine
CID 117139170
3-piperidin-2-yl-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylic acid
CID 117140198
3-(azepan-2-yl)-6-bromo-[1,2,4]triazolo[4,3-a]pyridine
CID 65348181
2-(5-methyl-4-phenyl-1,2,4-triazol-3-yl)azepane
CID 64562107

Frequently Asked Questions

What is the IUPAC name of 6-phenyl-3-[(2S)-piperidin-2-yl]-[1,2,4]triazolo[4,3-b]pyridazine?
The IUPAC name of 6-phenyl-3-[(2S)-piperidin-2-yl]-[1,2,4]triazolo[4,3-b]pyridazine (CID 99982435) is 6-phenyl-3-[(2S)-piperidin-2-yl]-[1,2,4]triazolo[4,3-b]pyridazine.
What is the SMILES notation for 6-phenyl-3-[(2S)-piperidin-2-yl]-[1,2,4]triazolo[4,3-b]pyridazine?
The canonical SMILES for 6-phenyl-3-[(2S)-piperidin-2-yl]-[1,2,4]triazolo[4,3-b]pyridazine is c1ccc(-c2ccc3nnc([C@@H]4CCCCN4)n3n2)cc1.
What is the InChIKey of 6-phenyl-3-[(2S)-piperidin-2-yl]-[1,2,4]triazolo[4,3-b]pyridazine?
The InChIKey is CKFQYIPETRGZKQ-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H17N5/c1-2-6-12(7-3-1)13-9-10-15-18-19-16(21(15)20-13)14-8-4-5-11-17-14/h1-3,6-7,9-10,14,17H,4-5,8,11H2/t14-/m0/s1.
What are the key properties of 6-phenyl-3-[(2S)-piperidin-2-yl]-[1,2,4]triazolo[4,3-b]pyridazine?
6-phenyl-3-[(2S)-piperidin-2-yl]-[1,2,4]triazolo[4,3-b]pyridazine has a molecular weight of 279.35 g/mol, XLogP of 2.61, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-phenyl-3-[(2S)-piperidin-2-yl]-[1,2,4]triazolo[4,3-b]pyridazine is sourced from PubChem (CID 99982435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).