3-methyl-2-[[1-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]methylamino]pyrido[3,4-d]pyrimidin-4-one

C18H19N9O — CID 126921073

IUPAC3-methyl-2-[[1-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]methylamino]pyrido[3,4-d]pyrimidin-4-one
SMILESCc1nnc2ccc(N3CC(CNc4nc5cnccc5c(=O)n4C)C3)nn12
InChIInChI=1S/C18H19N9O/c1-11-22-23-15-3-4-16(24-27(11)15)26-9-12(10-26)7-20-18-21-14-8-19-6-5-13(14)17(28)25(18)2/h3-6,8,12H,7,9-10H2,1-2H3,(H,20,21)
InChIKeyYLJGZEZVJFPGPW-UHFFFAOYSA-N
MW377.41 g/mol
LogP0.62
Rot. Bonds4

About 3-methyl-2-[[1-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]methylamino]pyrido[3,4-d]pyrimidin-4-one

3-methyl-2-[[1-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]methylamino]pyrido[3,4-d]pyrimidin-4-one (PubChem CID 126921073) has the molecular formula C18H19N9O and a molecular weight of 377.41 g/mol. Its IUPAC name is 3-methyl-2-[[1-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]methylamino]pyrido[3,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name3-methyl-2-[[1-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]methylamino]pyrido[3,4-d]pyrimidin-4-one
PubChem CID126921073
Molecular FormulaC18H19N9O
Molecular Weight377.41 g/mol
Exact Mass377.17
IUPAC Name3-methyl-2-[[1-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]methylamino]pyrido[3,4-d]pyrimidin-4-one
SMILESCc1nnc2ccc(N3CC(CNc4nc5cnccc5c(=O)n4C)C3)nn12
InChIInChI=1S/C18H19N9O/c1-11-22-23-15-3-4-16(24-27(11)15)26-9-12(10-26)7-20-18-21-14-8-19-6-5-13(14)17(28)25(18)2/h3-6,8,12H,7,9-10H2,1-2H3,(H,20,21)
InChIKeyYLJGZEZVJFPGPW-UHFFFAOYSA-N
XLogP0.62
TPSA106.13 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.41
LogP ≤ 50.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Analyze 3-methyl-2-[[1-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]methylamino]pyrido[3,4-d]pyrimidin-4-one with MolForge

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Related Compounds

2-[[1-(3-tert-butyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]methylamino]-3-methylpyrido[3,4-d]pyrimidin-4-one
CID 126922637
2,5-dimethyl-6-[[1-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]methylamino]pyrazolo[3,4-d]pyrimidin-4-one
CID 126921063
1-(cyclopropylmethyl)-3-[[1-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]methylamino]pyrazin-2-one
CID 126921076
5,6-dimethyl-N-[[1-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]methyl]pyrrolo[3,2-d]pyrimidin-4-amine
CID 126921065
2,5-dimethyl-6-[[1-(6-pyridin-4-ylpyridazin-3-yl)azetidin-3-yl]methylamino]pyrazolo[3,4-d]pyrimidin-4-one
CID 126920175
N-[[1-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]methyl]quinoline-8-sulfonamide
CID 126920880
3-methyl-2-[[1-(6-pyridin-4-ylpyridazin-3-yl)azetidin-3-yl]methylamino]pyrido[2,3-d]pyrimidin-4-one
CID 126920179
N-[[1-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]methyl]-1,2-oxazole-5-carboxamide
CID 126920807
N-[[1-(6-tert-butylpyridazin-3-yl)azetidin-3-yl]methyl]-3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
CID 126917817
N-[(3-methylthiophen-2-yl)methyl]-1-[1-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]methanamine
CID 126920962
N-[[1-(3-tert-butyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]methyl]-3-methylquinoxalin-2-amine
CID 126922482
3-methyl-2-[4-[(6-oxopyrimidin-1-yl)methyl]piperidin-1-yl]pyrido[3,4-d]pyrimidin-4-one
CID 126945090

Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-[[1-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]methylamino]pyrido[3,4-d]pyrimidin-4-one?
The IUPAC name of 3-methyl-2-[[1-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]methylamino]pyrido[3,4-d]pyrimidin-4-one (CID 126921073) is 3-methyl-2-[[1-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]methylamino]pyrido[3,4-d]pyrimidin-4-one.
What is the SMILES notation for 3-methyl-2-[[1-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]methylamino]pyrido[3,4-d]pyrimidin-4-one?
The canonical SMILES for 3-methyl-2-[[1-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]methylamino]pyrido[3,4-d]pyrimidin-4-one is Cc1nnc2ccc(N3CC(CNc4nc5cnccc5c(=O)n4C)C3)nn12.
What is the InChIKey of 3-methyl-2-[[1-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]methylamino]pyrido[3,4-d]pyrimidin-4-one?
The InChIKey is YLJGZEZVJFPGPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N9O/c1-11-22-23-15-3-4-16(24-27(11)15)26-9-12(10-26)7-20-18-21-14-8-19-6-5-13(14)17(28)25(18)2/h3-6,8,12H,7,9-10H2,1-2H3,(H,20,21).
What are the key properties of 3-methyl-2-[[1-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]methylamino]pyrido[3,4-d]pyrimidin-4-one?
3-methyl-2-[[1-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]methylamino]pyrido[3,4-d]pyrimidin-4-one has a molecular weight of 377.41 g/mol, XLogP of 0.62, 4 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-[[1-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]methylamino]pyrido[3,4-d]pyrimidin-4-one is sourced from PubChem (CID 126921073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).