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

C18H21N5 — CID 82167163

IUPAC6-(4-ethylphenyl)-3-piperidin-4-yl-[1,2,4]triazolo[4,3-b]pyridazine
SMILESCCc1ccc(-c2ccc3nnc(C4CCNCC4)n3n2)cc1
InChIInChI=1S/C18H21N5/c1-2-13-3-5-14(6-4-13)16-7-8-17-20-21-18(23(17)22-16)15-9-11-19-12-10-15/h3-8,15,19H,2,9-12H2,1H3
InChIKeyHYJSWSVOAHFOMO-UHFFFAOYSA-N
MW307.40 g/mol
LogP2.82
Rot. Bonds3

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

6-(4-ethylphenyl)-3-piperidin-4-yl-[1,2,4]triazolo[4,3-b]pyridazine (PubChem CID 82167163) has the molecular formula C18H21N5 and a molecular weight of 307.40 g/mol. Its IUPAC name is 6-(4-ethylphenyl)-3-piperidin-4-yl-[1,2,4]triazolo[4,3-b]pyridazine.

Molecular Properties

Compound Name6-(4-ethylphenyl)-3-piperidin-4-yl-[1,2,4]triazolo[4,3-b]pyridazine
PubChem CID82167163
Molecular FormulaC18H21N5
Molecular Weight307.40 g/mol
Exact Mass307.18
IUPAC Name6-(4-ethylphenyl)-3-piperidin-4-yl-[1,2,4]triazolo[4,3-b]pyridazine
SMILESCCc1ccc(-c2ccc3nnc(C4CCNCC4)n3n2)cc1
InChIInChI=1S/C18H21N5/c1-2-13-3-5-14(6-4-13)16-7-8-17-20-21-18(23(17)22-16)15-9-11-19-12-10-15/h3-8,15,19H,2,9-12H2,1H3
InChIKeyHYJSWSVOAHFOMO-UHFFFAOYSA-N
XLogP2.82
TPSA55.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.40
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-(2-methylpropyl)-3-piperidin-4-yl-[1,2,4]triazolo[4,3-b]pyridazine
CID 116822470
1-[6-(4-ethylphenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]ethanamine
CID 82167159
2-(4-ethylphenyl)-5-piperidin-4-yl-1,3,4-oxadiazole
CID 39359301
6-(4-chlorophenyl)-3-[(2S)-piperidin-2-yl]-[1,2,4]triazolo[4,3-b]pyridazine
CID 99982464
6-phenyl-3-[(2S)-piperidin-2-yl]-[1,2,4]triazolo[4,3-b]pyridazine
CID 99982435
6-(4-ethylphenyl)-3-ethynylimidazo[1,2-b]pyridazine
CID 123876012
4-[3-(4-ethylphenyl)phenyl]piperidine
CID 129173744
3-piperidin-3-yl-6-propyl-[1,2,4]triazolo[4,3-b]pyridazine
CID 116822477
3-[4-(6-pyridin-3-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidin-1-yl]pyrrolidin-2-one
CID 126913243
6-(3,4-dimethoxyphenyl)-3-pyrrolidin-2-yl-[1,2,4]triazolo[4,3-b]pyridazine
CID 102567910
6-phenyl-3-[1-(pyridin-4-ylmethyl)piperidin-4-yl]-[1,2,4]triazolo[4,3-b]pyridazine;bis(2,2,2-trifluoroacetic acid)
CID 155828035
8-cyclopropyl-3-(4-ethylphenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine
CID 102791994

Frequently Asked Questions

What is the IUPAC name of 6-(4-ethylphenyl)-3-piperidin-4-yl-[1,2,4]triazolo[4,3-b]pyridazine?
The IUPAC name of 6-(4-ethylphenyl)-3-piperidin-4-yl-[1,2,4]triazolo[4,3-b]pyridazine (CID 82167163) is 6-(4-ethylphenyl)-3-piperidin-4-yl-[1,2,4]triazolo[4,3-b]pyridazine.
What is the SMILES notation for 6-(4-ethylphenyl)-3-piperidin-4-yl-[1,2,4]triazolo[4,3-b]pyridazine?
The canonical SMILES for 6-(4-ethylphenyl)-3-piperidin-4-yl-[1,2,4]triazolo[4,3-b]pyridazine is CCc1ccc(-c2ccc3nnc(C4CCNCC4)n3n2)cc1.
What is the InChIKey of 6-(4-ethylphenyl)-3-piperidin-4-yl-[1,2,4]triazolo[4,3-b]pyridazine?
The InChIKey is HYJSWSVOAHFOMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5/c1-2-13-3-5-14(6-4-13)16-7-8-17-20-21-18(23(17)22-16)15-9-11-19-12-10-15/h3-8,15,19H,2,9-12H2,1H3.
What are the key properties of 6-(4-ethylphenyl)-3-piperidin-4-yl-[1,2,4]triazolo[4,3-b]pyridazine?
6-(4-ethylphenyl)-3-piperidin-4-yl-[1,2,4]triazolo[4,3-b]pyridazine has a molecular weight of 307.40 g/mol, XLogP of 2.82, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-ethylphenyl)-3-piperidin-4-yl-[1,2,4]triazolo[4,3-b]pyridazine is sourced from PubChem (CID 82167163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).