N-(5-methyl-2-pyridinyl)-3-(6-morpholin-4-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)propanamide

C18H21N7O2 — CID 20904086

IUPACN-(5-methyl-2-pyridinyl)-3-(6-morpholin-4-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)propanamide
SMILESCc1ccc(NC(=O)CCc2nnc3ccc(N4CCOCC4)nn23)nc1
InChIInChI=1S/C18H21N7O2/c1-13-2-3-14(19-12-13)20-18(26)7-6-16-22-21-15-4-5-17(23-25(15)16)24-8-10-27-11-9-24/h2-5,12H,6-11H2,1H3,(H,19,20,26)
InChIKeyCUVHCFRQBVRYNL-UHFFFAOYSA-N
MW367.41 g/mol
LogP1.24
Rot. Bonds5

About N-(5-methyl-2-pyridinyl)-3-(6-morpholin-4-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)propanamide

N-(5-methyl-2-pyridinyl)-3-(6-morpholin-4-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)propanamide (PubChem CID 20904086) has the molecular formula C18H21N7O2 and a molecular weight of 367.41 g/mol. Its IUPAC name is N-(5-methyl-2-pyridinyl)-3-(6-morpholin-4-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)propanamide.

Molecular Properties

Compound NameN-(5-methyl-2-pyridinyl)-3-(6-morpholin-4-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)propanamide
PubChem CID20904086
Molecular FormulaC18H21N7O2
Molecular Weight367.41 g/mol
Exact Mass367.18
IUPAC NameN-(5-methyl-2-pyridinyl)-3-(6-morpholin-4-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)propanamide
SMILESCc1ccc(NC(=O)CCc2nnc3ccc(N4CCOCC4)nn23)nc1
InChIInChI=1S/C18H21N7O2/c1-13-2-3-14(19-12-13)20-18(26)7-6-16-22-21-15-4-5-17(23-25(15)16)24-8-10-27-11-9-24/h2-5,12H,6-11H2,1H3,(H,19,20,26)
InChIKeyCUVHCFRQBVRYNL-UHFFFAOYSA-N
XLogP1.24
TPSA97.54 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.41
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

N-(6-methyl-2-pyridinyl)-3-(6-morpholin-4-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)propanamide
CID 20904087
N-(3-methyl-2-pyridinyl)-3-(6-morpholin-4-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)propanamide
CID 20956866
N-(4-fluorophenyl)-3-(6-morpholin-4-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)propanamide
CID 20904098
N-cyclopentyl-3-(6-morpholin-4-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)propanamide
CID 20904093
methyl 2-[3-(6-morpholin-4-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)propanoylamino]benzoate
CID 20956868
N-(2,4-difluorophenyl)-3-(6-morpholin-4-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)propanamide
CID 20956863
N-[2-(4-methylsulfanylphenyl)ethyl]-3-(6-morpholin-4-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)propanamide
CID 20904150
1-[4-(2,4-dimethylphenyl)piperazin-1-yl]-3-(6-morpholin-4-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)propan-1-one
CID 122176111
N-(6-methyl-2-pyridinyl)-3-(6-piperidin-1-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)propanamide
CID 20903992
N-(1-benzylpiperidin-4-yl)-3-(6-morpholin-4-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)propanamide
CID 20904134
(6-morpholin-4-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methanamine
CID 13134095
N-(5-methyl-2-pyridinyl)-6-morpholin-4-ylpyridine-3-carboxamide
CID 18142509

Frequently Asked Questions

What is the IUPAC name of N-(5-methyl-2-pyridinyl)-3-(6-morpholin-4-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)propanamide?
The IUPAC name of N-(5-methyl-2-pyridinyl)-3-(6-morpholin-4-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)propanamide (CID 20904086) is N-(5-methyl-2-pyridinyl)-3-(6-morpholin-4-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)propanamide.
What is the SMILES notation for N-(5-methyl-2-pyridinyl)-3-(6-morpholin-4-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)propanamide?
The canonical SMILES for N-(5-methyl-2-pyridinyl)-3-(6-morpholin-4-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)propanamide is Cc1ccc(NC(=O)CCc2nnc3ccc(N4CCOCC4)nn23)nc1.
What is the InChIKey of N-(5-methyl-2-pyridinyl)-3-(6-morpholin-4-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)propanamide?
The InChIKey is CUVHCFRQBVRYNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N7O2/c1-13-2-3-14(19-12-13)20-18(26)7-6-16-22-21-15-4-5-17(23-25(15)16)24-8-10-27-11-9-24/h2-5,12H,6-11H2,1H3,(H,19,20,26).
What are the key properties of N-(5-methyl-2-pyridinyl)-3-(6-morpholin-4-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)propanamide?
N-(5-methyl-2-pyridinyl)-3-(6-morpholin-4-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)propanamide has a molecular weight of 367.41 g/mol, XLogP of 1.24, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methyl-2-pyridinyl)-3-(6-morpholin-4-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)propanamide is sourced from PubChem (CID 20904086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).