3-[6-(diethylamino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]-1-pyrrolidin-1-ylpropan-1-one

C16H24N6O — CID 20903938

IUPAC3-[6-(diethylamino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]-1-pyrrolidin-1-ylpropan-1-one
SMILESCCN(CC)c1ccc2nnc(CCC(=O)N3CCCC3)n2n1
InChIInChI=1S/C16H24N6O/c1-3-20(4-2)15-8-7-13-17-18-14(22(13)19-15)9-10-16(23)21-11-5-6-12-21/h7-8H,3-6,9-12H2,1-2H3
InChIKeyBFFFPMLMXNAIQE-UHFFFAOYSA-N
MW316.41 g/mol
LogP1.53
Rot. Bonds6

About 3-[6-(diethylamino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]-1-pyrrolidin-1-ylpropan-1-one

3-[6-(diethylamino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]-1-pyrrolidin-1-ylpropan-1-one (PubChem CID 20903938) has the molecular formula C16H24N6O and a molecular weight of 316.41 g/mol. Its IUPAC name is 3-[6-(diethylamino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]-1-pyrrolidin-1-ylpropan-1-one.

Molecular Properties

Compound Name3-[6-(diethylamino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]-1-pyrrolidin-1-ylpropan-1-one
PubChem CID20903938
Molecular FormulaC16H24N6O
Molecular Weight316.41 g/mol
Exact Mass316.20
IUPAC Name3-[6-(diethylamino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]-1-pyrrolidin-1-ylpropan-1-one
SMILESCCN(CC)c1ccc2nnc(CCC(=O)N3CCCC3)n2n1
InChIInChI=1S/C16H24N6O/c1-3-20(4-2)15-8-7-13-17-18-14(22(13)19-15)9-10-16(23)21-11-5-6-12-21/h7-8H,3-6,9-12H2,1-2H3
InChIKeyBFFFPMLMXNAIQE-UHFFFAOYSA-N
XLogP1.53
TPSA66.63 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.41
LogP ≤ 51.53
H-Bond Donors ≤ 50
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]-1-pyrrolidin-1-ylpropan-1-one?
The IUPAC name of 3-[6-(diethylamino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]-1-pyrrolidin-1-ylpropan-1-one (CID 20903938) is 3-[6-(diethylamino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]-1-pyrrolidin-1-ylpropan-1-one.
What is the SMILES notation for 3-[6-(diethylamino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]-1-pyrrolidin-1-ylpropan-1-one?
The canonical SMILES for 3-[6-(diethylamino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]-1-pyrrolidin-1-ylpropan-1-one is CCN(CC)c1ccc2nnc(CCC(=O)N3CCCC3)n2n1.
What is the InChIKey of 3-[6-(diethylamino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]-1-pyrrolidin-1-ylpropan-1-one?
The InChIKey is BFFFPMLMXNAIQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N6O/c1-3-20(4-2)15-8-7-13-17-18-14(22(13)19-15)9-10-16(23)21-11-5-6-12-21/h7-8H,3-6,9-12H2,1-2H3.
What are the key properties of 3-[6-(diethylamino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]-1-pyrrolidin-1-ylpropan-1-one?
3-[6-(diethylamino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]-1-pyrrolidin-1-ylpropan-1-one has a molecular weight of 316.41 g/mol, XLogP of 1.53, 6 rotatable bonds, 0 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]-1-pyrrolidin-1-ylpropan-1-one is sourced from PubChem (CID 20903938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).