6-pyridin-3-yl-2-[[1-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)azetidin-3-yl]methyl]pyridazin-3-one

C20H19N7O — CID 126929576

IUPAC6-pyridin-3-yl-2-[[1-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)azetidin-3-yl]methyl]pyridazin-3-one
SMILESO=c1ccc(-c2cccnc2)nn1CC1CN(Cc2nnc3ccccn23)C1
InChIInChI=1S/C20H19N7O/c28-20-7-6-17(16-4-3-8-21-10-16)24-27(20)13-15-11-25(12-15)14-19-23-22-18-5-1-2-9-26(18)19/h1-10,15H,11-14H2
InChIKeyWBQQUPRWSAAUIR-UHFFFAOYSA-N
MW373.42 g/mol
LogP1.48
Rot. Bonds5

About 6-pyridin-3-yl-2-[[1-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)azetidin-3-yl]methyl]pyridazin-3-one

6-pyridin-3-yl-2-[[1-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)azetidin-3-yl]methyl]pyridazin-3-one (PubChem CID 126929576) has the molecular formula C20H19N7O and a molecular weight of 373.42 g/mol. Its IUPAC name is 6-pyridin-3-yl-2-[[1-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)azetidin-3-yl]methyl]pyridazin-3-one.

Molecular Properties

Compound Name6-pyridin-3-yl-2-[[1-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)azetidin-3-yl]methyl]pyridazin-3-one
PubChem CID126929576
Molecular FormulaC20H19N7O
Molecular Weight373.42 g/mol
Exact Mass373.17
IUPAC Name6-pyridin-3-yl-2-[[1-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)azetidin-3-yl]methyl]pyridazin-3-one
SMILESO=c1ccc(-c2cccnc2)nn1CC1CN(Cc2nnc3ccccn23)C1
InChIInChI=1S/C20H19N7O/c28-20-7-6-17(16-4-3-8-21-10-16)24-27(20)13-15-11-25(12-15)14-19-23-22-18-5-1-2-9-26(18)19/h1-10,15H,11-14H2
InChIKeyWBQQUPRWSAAUIR-UHFFFAOYSA-N
XLogP1.48
TPSA81.21 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.42
LogP ≤ 51.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 6-pyridin-3-yl-2-[[1-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)azetidin-3-yl]methyl]pyridazin-3-one with MolForge

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Related Compounds

6-pyridin-3-yl-2-[[1-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-ylmethyl)azetidin-3-yl]methyl]pyridazin-3-one
CID 126929459
2-[[1-[(5-propan-2-yl-1,3-oxazol-2-yl)methyl]azetidin-3-yl]methyl]-6-pyridin-3-ylpyridazin-3-one
CID 126929452
2-[[1-[(1-methyl-6-oxopiperidin-2-yl)methyl]azetidin-3-yl]methyl]-6-pyridin-3-ylpyridazin-3-one
CID 126929413
2-[[1-[(1-acetylpyrrolidin-2-yl)methyl]azetidin-3-yl]methyl]-6-pyridin-3-ylpyridazin-3-one
CID 126929481
2-[[1-(6-methylpyridazin-3-yl)azetidin-3-yl]methyl]-6-pyridin-3-ylpyridazin-3-one
CID 126929341
2-[[1-[2-(3-methyl-1,2-oxazol-5-yl)ethyl]azetidin-3-yl]methyl]-6-pyridin-3-ylpyridazin-3-one
CID 126929464
3-methyl-2-[3-[(6-oxo-3-pyridin-3-ylpyridazin-1-yl)methyl]azetidin-1-yl]pyrido[2,3-d]pyrimidin-4-one
CID 126929579
2-[[1-(cyclohex-3-ene-1-carbonyl)azetidin-3-yl]methyl]-6-pyridin-3-ylpyridazin-3-one
CID 126929267
2-[[1-(2,3-dihydro-1,4-benzodioxine-3-carbonyl)azetidin-3-yl]methyl]-6-pyridin-3-ylpyridazin-3-one
CID 126929260
2-[[1-[(2-methylpyrimidin-5-yl)methyl]azetidin-3-yl]methyl]-6-pyridin-4-ylpyridazin-3-one
CID 126929767
6-pyridin-3-yl-2-[[1-(5,6,7,8-tetrahydroquinazolin-4-yl)azetidin-3-yl]methyl]pyridazin-3-one
CID 126929526
2-[[1-(2-methyl-1,3-thiazole-4-carbonyl)azetidin-3-yl]methyl]-6-pyridin-3-ylpyridazin-3-one
CID 126929278

Frequently Asked Questions

What is the IUPAC name of 6-pyridin-3-yl-2-[[1-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)azetidin-3-yl]methyl]pyridazin-3-one?
The IUPAC name of 6-pyridin-3-yl-2-[[1-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)azetidin-3-yl]methyl]pyridazin-3-one (CID 126929576) is 6-pyridin-3-yl-2-[[1-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)azetidin-3-yl]methyl]pyridazin-3-one.
What is the SMILES notation for 6-pyridin-3-yl-2-[[1-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)azetidin-3-yl]methyl]pyridazin-3-one?
The canonical SMILES for 6-pyridin-3-yl-2-[[1-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)azetidin-3-yl]methyl]pyridazin-3-one is O=c1ccc(-c2cccnc2)nn1CC1CN(Cc2nnc3ccccn23)C1.
What is the InChIKey of 6-pyridin-3-yl-2-[[1-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)azetidin-3-yl]methyl]pyridazin-3-one?
The InChIKey is WBQQUPRWSAAUIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N7O/c28-20-7-6-17(16-4-3-8-21-10-16)24-27(20)13-15-11-25(12-15)14-19-23-22-18-5-1-2-9-26(18)19/h1-10,15H,11-14H2.
What are the key properties of 6-pyridin-3-yl-2-[[1-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)azetidin-3-yl]methyl]pyridazin-3-one?
6-pyridin-3-yl-2-[[1-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)azetidin-3-yl]methyl]pyridazin-3-one has a molecular weight of 373.42 g/mol, XLogP of 1.48, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-pyridin-3-yl-2-[[1-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)azetidin-3-yl]methyl]pyridazin-3-one is sourced from PubChem (CID 126929576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).