6-[[4-[6-(dimethylamino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]piperidin-1-yl]methyl]-2-methylpyridazin-3-one

C18H24N8O — CID 126912061

IUPAC6-[[4-[6-(dimethylamino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]piperidin-1-yl]methyl]-2-methylpyridazin-3-one
SMILESCN(C)c1ccc2nnc(C3CCN(Cc4ccc(=O)n(C)n4)CC3)n2n1
InChIInChI=1S/C18H24N8O/c1-23(2)16-6-5-15-19-20-18(26(15)22-16)13-8-10-25(11-9-13)12-14-4-7-17(27)24(3)21-14/h4-7,13H,8-12H2,1-3H3
InChIKeyPHYOTGQEBXCAMR-UHFFFAOYSA-N
MW368.45 g/mol
LogP0.66
Rot. Bonds4

About 6-[[4-[6-(dimethylamino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]piperidin-1-yl]methyl]-2-methylpyridazin-3-one

6-[[4-[6-(dimethylamino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]piperidin-1-yl]methyl]-2-methylpyridazin-3-one (PubChem CID 126912061) has the molecular formula C18H24N8O and a molecular weight of 368.45 g/mol. Its IUPAC name is 6-[[4-[6-(dimethylamino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]piperidin-1-yl]methyl]-2-methylpyridazin-3-one.

Molecular Properties

Compound Name6-[[4-[6-(dimethylamino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]piperidin-1-yl]methyl]-2-methylpyridazin-3-one
PubChem CID126912061
Molecular FormulaC18H24N8O
Molecular Weight368.45 g/mol
Exact Mass368.21
IUPAC Name6-[[4-[6-(dimethylamino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]piperidin-1-yl]methyl]-2-methylpyridazin-3-one
SMILESCN(C)c1ccc2nnc(C3CCN(Cc4ccc(=O)n(C)n4)CC3)n2n1
InChIInChI=1S/C18H24N8O/c1-23(2)16-6-5-15-19-20-18(26(15)22-16)13-8-10-25(11-9-13)12-14-4-7-17(27)24(3)21-14/h4-7,13H,8-12H2,1-3H3
InChIKeyPHYOTGQEBXCAMR-UHFFFAOYSA-N
XLogP0.66
TPSA84.45 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.45
LogP ≤ 50.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze 6-[[4-[6-(dimethylamino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]piperidin-1-yl]methyl]-2-methylpyridazin-3-one with MolForge

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Related Compounds

N,N-dimethyl-3-[1-[(5-methyl-1,2-oxazol-3-yl)methyl]piperidin-4-yl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
CID 126912143
3-[1-[2-(azepan-1-yl)ethyl]piperidin-4-yl]-N,N-dimethyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
CID 126912029
N,N-dimethyl-3-[1-[(2-methyl-1,3-oxazol-4-yl)methyl]piperidin-4-yl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
CID 126912116
N,N-dimethyl-3-[1-(pyrimidin-2-ylmethyl)piperidin-4-yl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
CID 126912084
4-[2-[4-[6-(dimethylamino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]piperidin-1-yl]ethyl]morpholin-3-one
CID 126912161
3-[1-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]piperidin-4-yl]-N,N-dimethyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
CID 126912151
6-[[4-[6-(dimethylamino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]piperidin-1-yl]methyl]piperidin-2-one
CID 126912047
N,N-dimethyl-3-[1-[(5-propan-2-yl-1,3-oxazol-4-yl)methyl]piperidin-4-yl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
CID 126912114
N,N-dimethyl-3-(1-pyridin-4-ylpiperidin-4-yl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
CID 126911947
2-methyl-6-[4-(6-pyrrolidin-1-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidin-1-yl]pyridazin-3-one
CID 126912553
N,N-dimethyl-3-[1-(5-methylpyrimidin-2-yl)piperidin-4-yl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
CID 126912206
6-cyclopropyl-3-[1-[(1-methylimidazol-4-yl)methyl]piperidin-4-yl]-[1,2,4]triazolo[4,3-b]pyridazine
CID 126911067

Frequently Asked Questions

What is the IUPAC name of 6-[[4-[6-(dimethylamino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]piperidin-1-yl]methyl]-2-methylpyridazin-3-one?
The IUPAC name of 6-[[4-[6-(dimethylamino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]piperidin-1-yl]methyl]-2-methylpyridazin-3-one (CID 126912061) is 6-[[4-[6-(dimethylamino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]piperidin-1-yl]methyl]-2-methylpyridazin-3-one.
What is the SMILES notation for 6-[[4-[6-(dimethylamino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]piperidin-1-yl]methyl]-2-methylpyridazin-3-one?
The canonical SMILES for 6-[[4-[6-(dimethylamino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]piperidin-1-yl]methyl]-2-methylpyridazin-3-one is CN(C)c1ccc2nnc(C3CCN(Cc4ccc(=O)n(C)n4)CC3)n2n1.
What is the InChIKey of 6-[[4-[6-(dimethylamino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]piperidin-1-yl]methyl]-2-methylpyridazin-3-one?
The InChIKey is PHYOTGQEBXCAMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N8O/c1-23(2)16-6-5-15-19-20-18(26(15)22-16)13-8-10-25(11-9-13)12-14-4-7-17(27)24(3)21-14/h4-7,13H,8-12H2,1-3H3.
What are the key properties of 6-[[4-[6-(dimethylamino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]piperidin-1-yl]methyl]-2-methylpyridazin-3-one?
6-[[4-[6-(dimethylamino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]piperidin-1-yl]methyl]-2-methylpyridazin-3-one has a molecular weight of 368.45 g/mol, XLogP of 0.66, 4 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[4-[6-(dimethylamino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]piperidin-1-yl]methyl]-2-methylpyridazin-3-one is sourced from PubChem (CID 126912061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).