2-[(4-chloro-1-methylpyrazolo[5,4-d]pyrimidin-6-yl)methyl]pyridazin-3-one

C11H9ClN6O — CID 55163711

IUPAC2-[(4-chloro-1-methylpyrazolo[5,4-d]pyrimidin-6-yl)methyl]pyridazin-3-one
SMILESCn1ncc2c(Cl)nc(Cn3ncccc3=O)nc21
InChIInChI=1S/C11H9ClN6O/c1-17-11-7(5-14-17)10(12)15-8(16-11)6-18-9(19)3-2-4-13-18/h2-5H,6H2,1H3
InChIKeySSNGNEWDOYAITF-UHFFFAOYSA-N
MW276.69 g/mol
LogP0.62
Rot. Bonds2

About 2-[(4-chloro-1-methylpyrazolo[5,4-d]pyrimidin-6-yl)methyl]pyridazin-3-one

2-[(4-chloro-1-methylpyrazolo[5,4-d]pyrimidin-6-yl)methyl]pyridazin-3-one (PubChem CID 55163711) has the molecular formula C11H9ClN6O and a molecular weight of 276.69 g/mol. Its IUPAC name is 2-[(4-chloro-1-methylpyrazolo[5,4-d]pyrimidin-6-yl)methyl]pyridazin-3-one.

Molecular Properties

Compound Name2-[(4-chloro-1-methylpyrazolo[5,4-d]pyrimidin-6-yl)methyl]pyridazin-3-one
PubChem CID55163711
Molecular FormulaC11H9ClN6O
Molecular Weight276.69 g/mol
Exact Mass276.05
IUPAC Name2-[(4-chloro-1-methylpyrazolo[5,4-d]pyrimidin-6-yl)methyl]pyridazin-3-one
SMILESCn1ncc2c(Cl)nc(Cn3ncccc3=O)nc21
InChIInChI=1S/C11H9ClN6O/c1-17-11-7(5-14-17)10(12)15-8(16-11)6-18-9(19)3-2-4-13-18/h2-5H,6H2,1H3
InChIKeySSNGNEWDOYAITF-UHFFFAOYSA-N
XLogP0.62
TPSA78.49 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.69
LogP ≤ 50.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-chloro-1-methylpyrazolo[5,4-d]pyrimidin-6-yl)methyl]pyridazin-3-one?
The IUPAC name of 2-[(4-chloro-1-methylpyrazolo[5,4-d]pyrimidin-6-yl)methyl]pyridazin-3-one (CID 55163711) is 2-[(4-chloro-1-methylpyrazolo[5,4-d]pyrimidin-6-yl)methyl]pyridazin-3-one.
What is the SMILES notation for 2-[(4-chloro-1-methylpyrazolo[5,4-d]pyrimidin-6-yl)methyl]pyridazin-3-one?
The canonical SMILES for 2-[(4-chloro-1-methylpyrazolo[5,4-d]pyrimidin-6-yl)methyl]pyridazin-3-one is Cn1ncc2c(Cl)nc(Cn3ncccc3=O)nc21.
What is the InChIKey of 2-[(4-chloro-1-methylpyrazolo[5,4-d]pyrimidin-6-yl)methyl]pyridazin-3-one?
The InChIKey is SSNGNEWDOYAITF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClN6O/c1-17-11-7(5-14-17)10(12)15-8(16-11)6-18-9(19)3-2-4-13-18/h2-5H,6H2,1H3.
What are the key properties of 2-[(4-chloro-1-methylpyrazolo[5,4-d]pyrimidin-6-yl)methyl]pyridazin-3-one?
2-[(4-chloro-1-methylpyrazolo[5,4-d]pyrimidin-6-yl)methyl]pyridazin-3-one has a molecular weight of 276.69 g/mol, XLogP of 0.62, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chloro-1-methylpyrazolo[5,4-d]pyrimidin-6-yl)methyl]pyridazin-3-one is sourced from PubChem (CID 55163711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).