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

C12H17N5 — CID 53016937

IUPAC3-ethyl-6-piperidin-1-yl-[1,2,4]triazolo[4,3-b]pyridazine
SMILESCCc1nnc2ccc(N3CCCCC3)nn12
InChIInChI=1S/C12H17N5/c1-2-10-13-14-11-6-7-12(15-17(10)11)16-8-4-3-5-9-16/h6-7H,2-5,8-9H2,1H3
InChIKeyGJCGGWWMHNAUPO-UHFFFAOYSA-N
MW231.30 g/mol
LogP1.68
Rot. Bonds2

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

3-ethyl-6-piperidin-1-yl-[1,2,4]triazolo[4,3-b]pyridazine (PubChem CID 53016937) has the molecular formula C12H17N5 and a molecular weight of 231.30 g/mol. Its IUPAC name is 3-ethyl-6-piperidin-1-yl-[1,2,4]triazolo[4,3-b]pyridazine.

Molecular Properties

Compound Name3-ethyl-6-piperidin-1-yl-[1,2,4]triazolo[4,3-b]pyridazine
PubChem CID53016937
Molecular FormulaC12H17N5
Molecular Weight231.30 g/mol
Exact Mass231.15
IUPAC Name3-ethyl-6-piperidin-1-yl-[1,2,4]triazolo[4,3-b]pyridazine
SMILESCCc1nnc2ccc(N3CCCCC3)nn12
InChIInChI=1S/C12H17N5/c1-2-10-13-14-11-6-7-12(15-17(10)11)16-8-4-3-5-9-16/h6-7H,2-5,8-9H2,1H3
InChIKeyGJCGGWWMHNAUPO-UHFFFAOYSA-N
XLogP1.68
TPSA46.32 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 51.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-6-piperidin-1-yl-[1,2,4]triazolo[4,3-b]pyridazine?
The IUPAC name of 3-ethyl-6-piperidin-1-yl-[1,2,4]triazolo[4,3-b]pyridazine (CID 53016937) is 3-ethyl-6-piperidin-1-yl-[1,2,4]triazolo[4,3-b]pyridazine.
What is the SMILES notation for 3-ethyl-6-piperidin-1-yl-[1,2,4]triazolo[4,3-b]pyridazine?
The canonical SMILES for 3-ethyl-6-piperidin-1-yl-[1,2,4]triazolo[4,3-b]pyridazine is CCc1nnc2ccc(N3CCCCC3)nn12.
What is the InChIKey of 3-ethyl-6-piperidin-1-yl-[1,2,4]triazolo[4,3-b]pyridazine?
The InChIKey is GJCGGWWMHNAUPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5/c1-2-10-13-14-11-6-7-12(15-17(10)11)16-8-4-3-5-9-16/h6-7H,2-5,8-9H2,1H3.
What are the key properties of 3-ethyl-6-piperidin-1-yl-[1,2,4]triazolo[4,3-b]pyridazine?
3-ethyl-6-piperidin-1-yl-[1,2,4]triazolo[4,3-b]pyridazine has a molecular weight of 231.30 g/mol, XLogP of 1.68, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-6-piperidin-1-yl-[1,2,4]triazolo[4,3-b]pyridazine is sourced from PubChem (CID 53016937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).