3-[6-(diethylamino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]-N-propylpropanamide

C15H24N6O — CID 20903942

IUPAC3-[6-(diethylamino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]-N-propylpropanamide
SMILESCCCNC(=O)CCc1nnc2ccc(N(CC)CC)nn12
InChIInChI=1S/C15H24N6O/c1-4-11-16-15(22)10-9-13-18-17-12-7-8-14(19-21(12)13)20(5-2)6-3/h7-8H,4-6,9-11H2,1-3H3,(H,16,22)
InChIKeyRYCPZVBNWMVLLK-UHFFFAOYSA-N
MW304.40 g/mol
LogP1.43
Rot. Bonds8

About 3-[6-(diethylamino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]-N-propylpropanamide

3-[6-(diethylamino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]-N-propylpropanamide (PubChem CID 20903942) has the molecular formula C15H24N6O and a molecular weight of 304.40 g/mol. Its IUPAC name is 3-[6-(diethylamino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]-N-propylpropanamide.

Molecular Properties

Compound Name3-[6-(diethylamino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]-N-propylpropanamide
PubChem CID20903942
Molecular FormulaC15H24N6O
Molecular Weight304.40 g/mol
Exact Mass304.20
IUPAC Name3-[6-(diethylamino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]-N-propylpropanamide
SMILESCCCNC(=O)CCc1nnc2ccc(N(CC)CC)nn12
InChIInChI=1S/C15H24N6O/c1-4-11-16-15(22)10-9-13-18-17-12-7-8-14(19-21(12)13)20(5-2)6-3/h7-8H,4-6,9-11H2,1-3H3,(H,16,22)
InChIKeyRYCPZVBNWMVLLK-UHFFFAOYSA-N
XLogP1.43
TPSA75.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.40
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[6-(diethylamino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]-N-propylpropanamide?
The IUPAC name of 3-[6-(diethylamino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]-N-propylpropanamide (CID 20903942) is 3-[6-(diethylamino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]-N-propylpropanamide.
What is the SMILES notation for 3-[6-(diethylamino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]-N-propylpropanamide?
The canonical SMILES for 3-[6-(diethylamino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]-N-propylpropanamide is CCCNC(=O)CCc1nnc2ccc(N(CC)CC)nn12.
What is the InChIKey of 3-[6-(diethylamino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]-N-propylpropanamide?
The InChIKey is RYCPZVBNWMVLLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N6O/c1-4-11-16-15(22)10-9-13-18-17-12-7-8-14(19-21(12)13)20(5-2)6-3/h7-8H,4-6,9-11H2,1-3H3,(H,16,22).
What are the key properties of 3-[6-(diethylamino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]-N-propylpropanamide?
3-[6-(diethylamino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]-N-propylpropanamide has a molecular weight of 304.40 g/mol, XLogP of 1.43, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-(diethylamino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]-N-propylpropanamide is sourced from PubChem (CID 20903942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).