2-methyl-5-[3-[methyl-(9-methylpurin-6-yl)amino]azetidin-1-yl]pyridazin-3-one

C15H18N8O — CID 175650902

IUPAC2-methyl-5-[3-[methyl-(9-methylpurin-6-yl)amino]azetidin-1-yl]pyridazin-3-one
SMILESCN(c1ncnc2c1ncn2C)C1CN(c2cnn(C)c(=O)c2)C1
InChIInChI=1S/C15H18N8O/c1-20-9-18-13-14(20)16-8-17-15(13)21(2)11-6-23(7-11)10-4-12(24)22(3)19-5-10/h4-5,8-9,11H,6-7H2,1-3H3
InChIKeyXNKGJLHPATTXON-UHFFFAOYSA-N
MW326.36 g/mol
LogP-0.22
Rot. Bonds3

About 2-methyl-5-[3-[methyl-(9-methylpurin-6-yl)amino]azetidin-1-yl]pyridazin-3-one

2-methyl-5-[3-[methyl-(9-methylpurin-6-yl)amino]azetidin-1-yl]pyridazin-3-one (PubChem CID 175650902) has the molecular formula C15H18N8O and a molecular weight of 326.36 g/mol. Its IUPAC name is 2-methyl-5-[3-[methyl-(9-methylpurin-6-yl)amino]azetidin-1-yl]pyridazin-3-one.

Molecular Properties

Compound Name2-methyl-5-[3-[methyl-(9-methylpurin-6-yl)amino]azetidin-1-yl]pyridazin-3-one
PubChem CID175650902
Molecular FormulaC15H18N8O
Molecular Weight326.36 g/mol
Exact Mass326.16
IUPAC Name2-methyl-5-[3-[methyl-(9-methylpurin-6-yl)amino]azetidin-1-yl]pyridazin-3-one
SMILESCN(c1ncnc2c1ncn2C)C1CN(c2cnn(C)c(=O)c2)C1
InChIInChI=1S/C15H18N8O/c1-20-9-18-13-14(20)16-8-17-15(13)21(2)11-6-23(7-11)10-4-12(24)22(3)19-5-10/h4-5,8-9,11H,6-7H2,1-3H3
InChIKeyXNKGJLHPATTXON-UHFFFAOYSA-N
XLogP-0.22
TPSA84.97 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.36
LogP ≤ 5-0.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Related Compounds

N,9-dimethyl-N-[1-(3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)azetidin-3-yl]purin-6-amine
CID 171327443
5-[3-[(2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)-methylamino]azetidin-1-yl]-2-methylpyridazin-3-one
CID 175650785
N-methyl-N-[1-(9-methylpurin-6-yl)pyrrolidin-3-yl]acetamide
CID 155974091
N,N'-dimethyl-N'-(9-methylpurin-6-yl)methanesulfonohydrazide
CID 143327988
N,N'-dimethyl-N,N'-bis(9-methylpurin-6-yl)ethane-1,2-diamine
CID 71429474
5-[3-[[2-cyclopropyl-6-(difluoromethyl)pyrimidin-4-yl]-methylamino]azetidin-1-yl]-2-methylpyridazin-3-one
CID 175650080
1-methyl-4-[4-(9-methylpurin-6-yl)piperazin-1-yl]pyrazolo[5,4-d]pyrimidine
CID 154853682
N-cycloheptyl-N,1-dimethylpyrazolo[5,4-d]pyrimidin-4-amine
CID 47159325
6-(azetidin-1-yl)-9-methylpurine
CID 147079717
[1-(9-methylpurin-6-yl)azetidin-3-yl]-morpholin-4-ylmethanone
CID 163351886
4-[3-[[[ethyl(methyl)sulfamoyl]amino]methyl]pyrrolidin-1-yl]-1-methyl-6-oxopyridazine
CID 70768852
2-methyl-5-[4-[(2-methyl-1,2,4-triazol-3-yl)methyl]piperazin-1-yl]pyridazin-3-one
CID 171995056

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-[3-[methyl-(9-methylpurin-6-yl)amino]azetidin-1-yl]pyridazin-3-one?
The IUPAC name of 2-methyl-5-[3-[methyl-(9-methylpurin-6-yl)amino]azetidin-1-yl]pyridazin-3-one (CID 175650902) is 2-methyl-5-[3-[methyl-(9-methylpurin-6-yl)amino]azetidin-1-yl]pyridazin-3-one.
What is the SMILES notation for 2-methyl-5-[3-[methyl-(9-methylpurin-6-yl)amino]azetidin-1-yl]pyridazin-3-one?
The canonical SMILES for 2-methyl-5-[3-[methyl-(9-methylpurin-6-yl)amino]azetidin-1-yl]pyridazin-3-one is CN(c1ncnc2c1ncn2C)C1CN(c2cnn(C)c(=O)c2)C1.
What is the InChIKey of 2-methyl-5-[3-[methyl-(9-methylpurin-6-yl)amino]azetidin-1-yl]pyridazin-3-one?
The InChIKey is XNKGJLHPATTXON-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N8O/c1-20-9-18-13-14(20)16-8-17-15(13)21(2)11-6-23(7-11)10-4-12(24)22(3)19-5-10/h4-5,8-9,11H,6-7H2,1-3H3.
What are the key properties of 2-methyl-5-[3-[methyl-(9-methylpurin-6-yl)amino]azetidin-1-yl]pyridazin-3-one?
2-methyl-5-[3-[methyl-(9-methylpurin-6-yl)amino]azetidin-1-yl]pyridazin-3-one has a molecular weight of 326.36 g/mol, XLogP of -0.22, 3 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-[3-[methyl-(9-methylpurin-6-yl)amino]azetidin-1-yl]pyridazin-3-one is sourced from PubChem (CID 175650902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).