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

C17H20N10O — CID 126921063

IUPAC2,5-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
SMILESCc1nnc2ccc(N3CC(CNc4nc5nn(C)cc5c(=O)n4C)C3)nn12
InChIInChI=1S/C17H20N10O/c1-10-20-21-13-4-5-14(22-27(10)13)26-7-11(8-26)6-18-17-19-15-12(9-24(2)23-15)16(28)25(17)3/h4-5,9,11H,6-8H2,1-3H3,(H,18,19,23)
InChIKeyWRYSSSNYLDWCDG-UHFFFAOYSA-N
MW380.42 g/mol
LogP-0.04
Rot. Bonds4

About 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

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 (PubChem CID 126921063) has the molecular formula C17H20N10O and a molecular weight of 380.42 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2,5-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
PubChem CID126921063
Molecular FormulaC17H20N10O
Molecular Weight380.42 g/mol
Exact Mass380.18
IUPAC Name2,5-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
SMILESCc1nnc2ccc(N3CC(CNc4nc5nn(C)cc5c(=O)n4C)C3)nn12
InChIInChI=1S/C17H20N10O/c1-10-20-21-13-4-5-14(22-27(10)13)26-7-11(8-26)6-18-17-19-15-12(9-24(2)23-15)16(28)25(17)3/h4-5,9,11H,6-8H2,1-3H3,(H,18,19,23)
InChIKeyWRYSSSNYLDWCDG-UHFFFAOYSA-N
XLogP-0.04
TPSA111.06 Ų
H-Bond Donors1
H-Bond Acceptors11
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.42
LogP ≤ 5-0.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1011

Analyze 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 with MolForge

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Related Compounds

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
2,5-dimethyl-6-[[1-(6-pyridin-4-ylpyridazin-3-yl)azetidin-3-yl]methylamino]pyrazolo[3,4-d]pyrimidin-4-one
CID 126920175
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
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
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-[[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-[(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
6-(3,5-dimethylpyrazol-1-yl)-2-[[1-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]methyl]pyridazin-3-one
CID 126930027
2-[[1-(3-tert-butyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]methylamino]pyrido[1,2-a]pyrimidin-4-one
CID 126922534

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Cc1nnc2ccc(N3CC(CNc4nc5nn(C)cc5c(=O)n4C)C3)nn12.
What is the InChIKey of 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?
The InChIKey is WRYSSSNYLDWCDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N10O/c1-10-20-21-13-4-5-14(22-27(10)13)26-7-11(8-26)6-18-17-19-15-12(9-24(2)23-15)16(28)25(17)3/h4-5,9,11H,6-8H2,1-3H3,(H,18,19,23).
What are the key properties of 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?
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 has a molecular weight of 380.42 g/mol, XLogP of -0.04, 4 rotatable bonds, 1 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 126921063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).