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

C19H22N6O2 — CID 20956890

IUPAC3-[6-(benzylamino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]-1-morpholin-4-ylpropan-1-one
SMILESO=C(CCc1nnc2ccc(NCc3ccccc3)nn12)N1CCOCC1
InChIInChI=1S/C19H22N6O2/c26-19(24-10-12-27-13-11-24)9-8-18-22-21-17-7-6-16(23-25(17)18)20-14-15-4-2-1-3-5-15/h1-7H,8-14H2,(H,20,23)
InChIKeyAAXKFPPTBFCQFG-UHFFFAOYSA-N
MW366.43 g/mol
LogP1.53
Rot. Bonds6

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

3-[6-(benzylamino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]-1-morpholin-4-ylpropan-1-one (PubChem CID 20956890) has the molecular formula C19H22N6O2 and a molecular weight of 366.43 g/mol. Its IUPAC name is 3-[6-(benzylamino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]-1-morpholin-4-ylpropan-1-one.

Molecular Properties

Compound Name3-[6-(benzylamino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]-1-morpholin-4-ylpropan-1-one
PubChem CID20956890
Molecular FormulaC19H22N6O2
Molecular Weight366.43 g/mol
Exact Mass366.18
IUPAC Name3-[6-(benzylamino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]-1-morpholin-4-ylpropan-1-one
SMILESO=C(CCc1nnc2ccc(NCc3ccccc3)nn12)N1CCOCC1
InChIInChI=1S/C19H22N6O2/c26-19(24-10-12-27-13-11-24)9-8-18-22-21-17-7-6-16(23-25(17)18)20-14-15-4-2-1-3-5-15/h1-7H,8-14H2,(H,20,23)
InChIKeyAAXKFPPTBFCQFG-UHFFFAOYSA-N
XLogP1.53
TPSA84.65 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.43
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-[6-(benzylamino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]-1-morpholin-4-ylpropan-1-one?
The IUPAC name of 3-[6-(benzylamino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]-1-morpholin-4-ylpropan-1-one (CID 20956890) is 3-[6-(benzylamino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]-1-morpholin-4-ylpropan-1-one.
What is the SMILES notation for 3-[6-(benzylamino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]-1-morpholin-4-ylpropan-1-one?
The canonical SMILES for 3-[6-(benzylamino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]-1-morpholin-4-ylpropan-1-one is O=C(CCc1nnc2ccc(NCc3ccccc3)nn12)N1CCOCC1.
What is the InChIKey of 3-[6-(benzylamino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]-1-morpholin-4-ylpropan-1-one?
The InChIKey is AAXKFPPTBFCQFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N6O2/c26-19(24-10-12-27-13-11-24)9-8-18-22-21-17-7-6-16(23-25(17)18)20-14-15-4-2-1-3-5-15/h1-7H,8-14H2,(H,20,23).
What are the key properties of 3-[6-(benzylamino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]-1-morpholin-4-ylpropan-1-one?
3-[6-(benzylamino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]-1-morpholin-4-ylpropan-1-one has a molecular weight of 366.43 g/mol, XLogP of 1.53, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-(benzylamino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]-1-morpholin-4-ylpropan-1-one is sourced from PubChem (CID 20956890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).