1-methyl-5-(pyridazin-3-ylmethylamino)-6H-pyrazolo[4,5-d]pyrimidin-7-one

C11H11N7O — CID 154606884

IUPAC1-methyl-5-(pyridazin-3-ylmethylamino)-6H-pyrazolo[4,5-d]pyrimidin-7-one
SMILESCn1ncc2nc(NCc3cccnn3)[nH]c(=O)c21
InChIInChI=1S/C11H11N7O/c1-18-9-8(6-14-18)15-11(16-10(9)19)12-5-7-3-2-4-13-17-7/h2-4,6H,5H2,1H3,(H2,12,15,16,19)
InChIKeyMDZFKGXISFAOKI-UHFFFAOYSA-N
MW257.26 g/mol
LogP0.06
Rot. Bonds3

About 1-methyl-5-(pyridazin-3-ylmethylamino)-6H-pyrazolo[4,5-d]pyrimidin-7-one

1-methyl-5-(pyridazin-3-ylmethylamino)-6H-pyrazolo[4,5-d]pyrimidin-7-one (PubChem CID 154606884) has the molecular formula C11H11N7O and a molecular weight of 257.26 g/mol. Its IUPAC name is 1-methyl-5-(pyridazin-3-ylmethylamino)-6H-pyrazolo[4,5-d]pyrimidin-7-one.

Molecular Properties

Compound Name1-methyl-5-(pyridazin-3-ylmethylamino)-6H-pyrazolo[4,5-d]pyrimidin-7-one
PubChem CID154606884
Molecular FormulaC11H11N7O
Molecular Weight257.26 g/mol
Exact Mass257.10
IUPAC Name1-methyl-5-(pyridazin-3-ylmethylamino)-6H-pyrazolo[4,5-d]pyrimidin-7-one
SMILESCn1ncc2nc(NCc3cccnn3)[nH]c(=O)c21
InChIInChI=1S/C11H11N7O/c1-18-9-8(6-14-18)15-11(16-10(9)19)12-5-7-3-2-4-13-17-7/h2-4,6H,5H2,1H3,(H2,12,15,16,19)
InChIKeyMDZFKGXISFAOKI-UHFFFAOYSA-N
XLogP0.06
TPSA101.38 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.26
LogP ≤ 50.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-5-(pyridazin-3-ylmethylamino)-6H-pyrazolo[4,5-d]pyrimidin-7-one?
The IUPAC name of 1-methyl-5-(pyridazin-3-ylmethylamino)-6H-pyrazolo[4,5-d]pyrimidin-7-one (CID 154606884) is 1-methyl-5-(pyridazin-3-ylmethylamino)-6H-pyrazolo[4,5-d]pyrimidin-7-one.
What is the SMILES notation for 1-methyl-5-(pyridazin-3-ylmethylamino)-6H-pyrazolo[4,5-d]pyrimidin-7-one?
The canonical SMILES for 1-methyl-5-(pyridazin-3-ylmethylamino)-6H-pyrazolo[4,5-d]pyrimidin-7-one is Cn1ncc2nc(NCc3cccnn3)[nH]c(=O)c21.
What is the InChIKey of 1-methyl-5-(pyridazin-3-ylmethylamino)-6H-pyrazolo[4,5-d]pyrimidin-7-one?
The InChIKey is MDZFKGXISFAOKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N7O/c1-18-9-8(6-14-18)15-11(16-10(9)19)12-5-7-3-2-4-13-17-7/h2-4,6H,5H2,1H3,(H2,12,15,16,19).
What are the key properties of 1-methyl-5-(pyridazin-3-ylmethylamino)-6H-pyrazolo[4,5-d]pyrimidin-7-one?
1-methyl-5-(pyridazin-3-ylmethylamino)-6H-pyrazolo[4,5-d]pyrimidin-7-one has a molecular weight of 257.26 g/mol, XLogP of 0.06, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-5-(pyridazin-3-ylmethylamino)-6H-pyrazolo[4,5-d]pyrimidin-7-one is sourced from PubChem (CID 154606884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).