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

C14H21N5 — CID 116822470

IUPAC6-(2-methylpropyl)-3-piperidin-4-yl-[1,2,4]triazolo[4,3-b]pyridazine
SMILESCC(C)Cc1ccc2nnc(C3CCNCC3)n2n1
InChIInChI=1S/C14H21N5/c1-10(2)9-12-3-4-13-16-17-14(19(13)18-12)11-5-7-15-8-6-11/h3-4,10-11,15H,5-9H2,1-2H3
InChIKeyMVFFUFMEYNKHSQ-UHFFFAOYSA-N
MW259.36 g/mol
LogP1.79
Rot. Bonds3

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

6-(2-methylpropyl)-3-piperidin-4-yl-[1,2,4]triazolo[4,3-b]pyridazine (PubChem CID 116822470) has the molecular formula C14H21N5 and a molecular weight of 259.36 g/mol. Its IUPAC name is 6-(2-methylpropyl)-3-piperidin-4-yl-[1,2,4]triazolo[4,3-b]pyridazine.

Molecular Properties

Compound Name6-(2-methylpropyl)-3-piperidin-4-yl-[1,2,4]triazolo[4,3-b]pyridazine
PubChem CID116822470
Molecular FormulaC14H21N5
Molecular Weight259.36 g/mol
Exact Mass259.18
IUPAC Name6-(2-methylpropyl)-3-piperidin-4-yl-[1,2,4]triazolo[4,3-b]pyridazine
SMILESCC(C)Cc1ccc2nnc(C3CCNCC3)n2n1
InChIInChI=1S/C14H21N5/c1-10(2)9-12-3-4-13-16-17-14(19(13)18-12)11-5-7-15-8-6-11/h3-4,10-11,15H,5-9H2,1-2H3
InChIKeyMVFFUFMEYNKHSQ-UHFFFAOYSA-N
XLogP1.79
TPSA55.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.36
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-(4-ethylphenyl)-3-piperidin-4-yl-[1,2,4]triazolo[4,3-b]pyridazine
CID 82167163
3-piperidin-3-yl-6-propyl-[1,2,4]triazolo[4,3-b]pyridazine
CID 116822477
2-[6-(2-methylpropyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]ethanamine
CID 116822321
4-[4-(2-methylpropyl)-1-(2-pyrrolidin-1-ylethyl)imidazol-2-yl]piperidine
CID 67113242
6-(2-methylpropyl)-N-piperidin-4-ylpyridazin-3-amine
CID 116971030
4-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidine
CID 50988293
6-methoxy-3-piperidin-4-yl-[1,2,4]triazolo[4,3-a]pyridine
CID 105491253
7-methyl-3-piperidin-4-yl-[1,2,4]triazolo[4,3-a]pyridine
CID 75357455
3-piperidin-4-yl-[1,2,4]triazolo[4,3-a]pyridin-7-amine
CID 117143835
2-(2-methylpropyl)-7-piperidin-3-ylpyrazolo[1,5-a]pyrimidine
CID 103316447
[4-(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)cyclohexyl]methanamine
CID 79525077
6-(2-methylpropyl)-N-(2-piperidin-4-ylethyl)pyridazin-3-amine
CID 116972216

Frequently Asked Questions

What is the IUPAC name of 6-(2-methylpropyl)-3-piperidin-4-yl-[1,2,4]triazolo[4,3-b]pyridazine?
The IUPAC name of 6-(2-methylpropyl)-3-piperidin-4-yl-[1,2,4]triazolo[4,3-b]pyridazine (CID 116822470) is 6-(2-methylpropyl)-3-piperidin-4-yl-[1,2,4]triazolo[4,3-b]pyridazine.
What is the SMILES notation for 6-(2-methylpropyl)-3-piperidin-4-yl-[1,2,4]triazolo[4,3-b]pyridazine?
The canonical SMILES for 6-(2-methylpropyl)-3-piperidin-4-yl-[1,2,4]triazolo[4,3-b]pyridazine is CC(C)Cc1ccc2nnc(C3CCNCC3)n2n1.
What is the InChIKey of 6-(2-methylpropyl)-3-piperidin-4-yl-[1,2,4]triazolo[4,3-b]pyridazine?
The InChIKey is MVFFUFMEYNKHSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N5/c1-10(2)9-12-3-4-13-16-17-14(19(13)18-12)11-5-7-15-8-6-11/h3-4,10-11,15H,5-9H2,1-2H3.
What are the key properties of 6-(2-methylpropyl)-3-piperidin-4-yl-[1,2,4]triazolo[4,3-b]pyridazine?
6-(2-methylpropyl)-3-piperidin-4-yl-[1,2,4]triazolo[4,3-b]pyridazine has a molecular weight of 259.36 g/mol, XLogP of 1.79, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-methylpropyl)-3-piperidin-4-yl-[1,2,4]triazolo[4,3-b]pyridazine is sourced from PubChem (CID 116822470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).