2-propan-2-yl-6-[4-(7H-purin-6-yl)piperazin-1-yl]pyridazin-3-one

C16H20N8O — CID 163352034

IUPAC2-propan-2-yl-6-[4-(7H-purin-6-yl)piperazin-1-yl]pyridazin-3-one
SMILESCC(C)n1nc(N2CCN(c3ncnc4nc[nH]c34)CC2)ccc1=O
InChIInChI=1S/C16H20N8O/c1-11(2)24-13(25)4-3-12(21-24)22-5-7-23(8-6-22)16-14-15(18-9-17-14)19-10-20-16/h3-4,9-11H,5-8H2,1-2H3,(H,17,18,19,20)
InChIKeyIOVVLFULIKZLBQ-UHFFFAOYSA-N
MW340.39 g/mol
LogP0.82
Rot. Bonds3

About 2-propan-2-yl-6-[4-(7H-purin-6-yl)piperazin-1-yl]pyridazin-3-one

2-propan-2-yl-6-[4-(7H-purin-6-yl)piperazin-1-yl]pyridazin-3-one (PubChem CID 163352034) has the molecular formula C16H20N8O and a molecular weight of 340.39 g/mol. Its IUPAC name is 2-propan-2-yl-6-[4-(7H-purin-6-yl)piperazin-1-yl]pyridazin-3-one.

Molecular Properties

Compound Name2-propan-2-yl-6-[4-(7H-purin-6-yl)piperazin-1-yl]pyridazin-3-one
PubChem CID163352034
Molecular FormulaC16H20N8O
Molecular Weight340.39 g/mol
Exact Mass340.18
IUPAC Name2-propan-2-yl-6-[4-(7H-purin-6-yl)piperazin-1-yl]pyridazin-3-one
SMILESCC(C)n1nc(N2CCN(c3ncnc4nc[nH]c34)CC2)ccc1=O
InChIInChI=1S/C16H20N8O/c1-11(2)24-13(25)4-3-12(21-24)22-5-7-23(8-6-22)16-14-15(18-9-17-14)19-10-20-16/h3-4,9-11H,5-8H2,1-2H3,(H,17,18,19,20)
InChIKeyIOVVLFULIKZLBQ-UHFFFAOYSA-N
XLogP0.82
TPSA95.83 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.39
LogP ≤ 50.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

2-propan-2-yl-6-[4-(1H-pyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]pyridazin-3-one
CID 163352035
2-propan-2-yl-6-[2-[(7H-purin-6-ylamino)methyl]piperidin-1-yl]pyridazin-3-one
CID 126931091
1-[1-(7H-purin-6-yl)pyrrolidin-3-yl]ethanamine
CID 103976832
4-(7H-purin-6-yl)piperazine-1-carbaldehyde
CID 118720796
6-(4-pyrimidin-2-ylpiperazin-1-yl)-7H-purine
CID 23605644
6-[4-(7H-purin-6-yl)-1,4-diazepan-1-yl]pyridazine-3-carbonitrile
CID 163350765
6-[4-(6-cyclopropylpyrimidin-4-yl)piperazin-1-yl]-7H-purine
CID 72859199
6-(2,4-dimethyl-1,3-thiazol-5-yl)-2-[[1-(7H-purin-6-yl)piperidin-4-yl]methyl]pyridazin-3-one
CID 155799568
2-[1-[4-(7H-purin-6-yl)piperazin-1-yl]ethyl]-1,3-thiazole
CID 133476564
N-[1-[1-(7H-purin-6-yl)piperidin-4-yl]ethyl]propan-1-amine
CID 63854249
6-[4-(7H-purin-6-yl)piperazin-1-yl]quinazoline
CID 126894249
2-[4-(7H-purin-6-yl)piperazin-1-yl]butanethioamide
CID 63342163

Frequently Asked Questions

What is the IUPAC name of 2-propan-2-yl-6-[4-(7H-purin-6-yl)piperazin-1-yl]pyridazin-3-one?
The IUPAC name of 2-propan-2-yl-6-[4-(7H-purin-6-yl)piperazin-1-yl]pyridazin-3-one (CID 163352034) is 2-propan-2-yl-6-[4-(7H-purin-6-yl)piperazin-1-yl]pyridazin-3-one.
What is the SMILES notation for 2-propan-2-yl-6-[4-(7H-purin-6-yl)piperazin-1-yl]pyridazin-3-one?
The canonical SMILES for 2-propan-2-yl-6-[4-(7H-purin-6-yl)piperazin-1-yl]pyridazin-3-one is CC(C)n1nc(N2CCN(c3ncnc4nc[nH]c34)CC2)ccc1=O.
What is the InChIKey of 2-propan-2-yl-6-[4-(7H-purin-6-yl)piperazin-1-yl]pyridazin-3-one?
The InChIKey is IOVVLFULIKZLBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N8O/c1-11(2)24-13(25)4-3-12(21-24)22-5-7-23(8-6-22)16-14-15(18-9-17-14)19-10-20-16/h3-4,9-11H,5-8H2,1-2H3,(H,17,18,19,20).
What are the key properties of 2-propan-2-yl-6-[4-(7H-purin-6-yl)piperazin-1-yl]pyridazin-3-one?
2-propan-2-yl-6-[4-(7H-purin-6-yl)piperazin-1-yl]pyridazin-3-one has a molecular weight of 340.39 g/mol, XLogP of 0.82, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propan-2-yl-6-[4-(7H-purin-6-yl)piperazin-1-yl]pyridazin-3-one is sourced from PubChem (CID 163352034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).