4-bromo-2-methyl-5-(1H-pyrazol-5-ylmethylamino)pyridazin-3-one

C9H10BrN5O — CID 84583923

IUPAC4-bromo-2-methyl-5-(1H-pyrazol-5-ylmethylamino)pyridazin-3-one
SMILESCn1ncc(NCc2ccn[nH]2)c(Br)c1=O
InChIInChI=1S/C9H10BrN5O/c1-15-9(16)8(10)7(5-13-15)11-4-6-2-3-12-14-6/h2-3,5,11H,4H2,1H3,(H,12,14)
InChIKeyNDYYAVQTMZTYOA-UHFFFAOYSA-N
MW284.12 g/mol
LogP0.88
Rot. Bonds3

About 4-bromo-2-methyl-5-(1H-pyrazol-5-ylmethylamino)pyridazin-3-one

4-bromo-2-methyl-5-(1H-pyrazol-5-ylmethylamino)pyridazin-3-one (PubChem CID 84583923) has the molecular formula C9H10BrN5O and a molecular weight of 284.12 g/mol. Its IUPAC name is 4-bromo-2-methyl-5-(1H-pyrazol-5-ylmethylamino)pyridazin-3-one.

Molecular Properties

Compound Name4-bromo-2-methyl-5-(1H-pyrazol-5-ylmethylamino)pyridazin-3-one
PubChem CID84583923
Molecular FormulaC9H10BrN5O
Molecular Weight284.12 g/mol
Exact Mass283.01
IUPAC Name4-bromo-2-methyl-5-(1H-pyrazol-5-ylmethylamino)pyridazin-3-one
SMILESCn1ncc(NCc2ccn[nH]2)c(Br)c1=O
InChIInChI=1S/C9H10BrN5O/c1-15-9(16)8(10)7(5-13-15)11-4-6-2-3-12-14-6/h2-3,5,11H,4H2,1H3,(H,12,14)
InChIKeyNDYYAVQTMZTYOA-UHFFFAOYSA-N
XLogP0.88
TPSA75.60 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.12
LogP ≤ 50.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-methyl-5-(1H-pyrazol-5-ylmethylamino)pyridazin-3-one?
The IUPAC name of 4-bromo-2-methyl-5-(1H-pyrazol-5-ylmethylamino)pyridazin-3-one (CID 84583923) is 4-bromo-2-methyl-5-(1H-pyrazol-5-ylmethylamino)pyridazin-3-one.
What is the SMILES notation for 4-bromo-2-methyl-5-(1H-pyrazol-5-ylmethylamino)pyridazin-3-one?
The canonical SMILES for 4-bromo-2-methyl-5-(1H-pyrazol-5-ylmethylamino)pyridazin-3-one is Cn1ncc(NCc2ccn[nH]2)c(Br)c1=O.
What is the InChIKey of 4-bromo-2-methyl-5-(1H-pyrazol-5-ylmethylamino)pyridazin-3-one?
The InChIKey is NDYYAVQTMZTYOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10BrN5O/c1-15-9(16)8(10)7(5-13-15)11-4-6-2-3-12-14-6/h2-3,5,11H,4H2,1H3,(H,12,14).
What are the key properties of 4-bromo-2-methyl-5-(1H-pyrazol-5-ylmethylamino)pyridazin-3-one?
4-bromo-2-methyl-5-(1H-pyrazol-5-ylmethylamino)pyridazin-3-one has a molecular weight of 284.12 g/mol, XLogP of 0.88, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-methyl-5-(1H-pyrazol-5-ylmethylamino)pyridazin-3-one is sourced from PubChem (CID 84583923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).