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

C13H19N5 — CID 116822477

IUPAC3-piperidin-3-yl-6-propyl-[1,2,4]triazolo[4,3-b]pyridazine
SMILESCCCc1ccc2nnc(C3CCCNC3)n2n1
InChIInChI=1S/C13H19N5/c1-2-4-11-6-7-12-15-16-13(18(12)17-11)10-5-3-8-14-9-10/h6-7,10,14H,2-5,8-9H2,1H3
InChIKeyAZVPPICJNRZHLL-UHFFFAOYSA-N
MW245.33 g/mol
LogP1.54
Rot. Bonds3

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

3-piperidin-3-yl-6-propyl-[1,2,4]triazolo[4,3-b]pyridazine (PubChem CID 116822477) has the molecular formula C13H19N5 and a molecular weight of 245.33 g/mol. Its IUPAC name is 3-piperidin-3-yl-6-propyl-[1,2,4]triazolo[4,3-b]pyridazine.

Molecular Properties

Compound Name3-piperidin-3-yl-6-propyl-[1,2,4]triazolo[4,3-b]pyridazine
PubChem CID116822477
Molecular FormulaC13H19N5
Molecular Weight245.33 g/mol
Exact Mass245.16
IUPAC Name3-piperidin-3-yl-6-propyl-[1,2,4]triazolo[4,3-b]pyridazine
SMILESCCCc1ccc2nnc(C3CCCNC3)n2n1
InChIInChI=1S/C13H19N5/c1-2-4-11-6-7-12-15-16-13(18(12)17-11)10-5-3-8-14-9-10/h6-7,10,14H,2-5,8-9H2,1H3
InChIKeyAZVPPICJNRZHLL-UHFFFAOYSA-N
XLogP1.54
TPSA55.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

7-piperidin-3-yl-2-propylpyrazolo[1,5-a]pyrimidine
CID 103315962
6-(2-methylpropyl)-3-piperidin-4-yl-[1,2,4]triazolo[4,3-b]pyridazine
CID 116822470
N-piperidin-3-yl-6-propylpyridazin-3-amine
CID 116971005
3-(4-ethyl-1,2,4-triazol-3-yl)piperidine;dihydrochloride
CID 50988337
7-methyl-3-piperidin-3-yl-[1,2,4]triazolo[4,3-a]pyridine
CID 79020647
3-(4-butyl-1,2,4-triazol-3-yl)piperidine
CID 82470594
3-(4-ethyl-5-methylsulfanyl-1,2,4-triazol-3-yl)piperidine
CID 3231623
3-methyl-6-piperidin-3-yl-[1,2,4]triazolo[4,3-a]pyridine
CID 83835946
3-piperidin-3-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-amine
CID 82473348
3-(4-cyclopentyl-1,2,4-triazol-3-yl)piperidine
CID 62710235
3-[4-(2-methylpropyl)-1,2,4-triazol-3-yl]piperidine
CID 62710906
(3S)-3-(2-ethyl-1,2,4-triazol-3-yl)piperidine
CID 94552936

Frequently Asked Questions

What is the IUPAC name of 3-piperidin-3-yl-6-propyl-[1,2,4]triazolo[4,3-b]pyridazine?
The IUPAC name of 3-piperidin-3-yl-6-propyl-[1,2,4]triazolo[4,3-b]pyridazine (CID 116822477) is 3-piperidin-3-yl-6-propyl-[1,2,4]triazolo[4,3-b]pyridazine.
What is the SMILES notation for 3-piperidin-3-yl-6-propyl-[1,2,4]triazolo[4,3-b]pyridazine?
The canonical SMILES for 3-piperidin-3-yl-6-propyl-[1,2,4]triazolo[4,3-b]pyridazine is CCCc1ccc2nnc(C3CCCNC3)n2n1.
What is the InChIKey of 3-piperidin-3-yl-6-propyl-[1,2,4]triazolo[4,3-b]pyridazine?
The InChIKey is AZVPPICJNRZHLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5/c1-2-4-11-6-7-12-15-16-13(18(12)17-11)10-5-3-8-14-9-10/h6-7,10,14H,2-5,8-9H2,1H3.
What are the key properties of 3-piperidin-3-yl-6-propyl-[1,2,4]triazolo[4,3-b]pyridazine?
3-piperidin-3-yl-6-propyl-[1,2,4]triazolo[4,3-b]pyridazine has a molecular weight of 245.33 g/mol, XLogP of 1.54, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-piperidin-3-yl-6-propyl-[1,2,4]triazolo[4,3-b]pyridazine is sourced from PubChem (CID 116822477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).