5-(1H-imidazol-2-yl)-3-methyl-1H-pyridazin-6-one

C8H8N4O — CID 135988477

IUPAC5-(1H-imidazol-2-yl)-3-methyl-1H-pyridazin-6-one
SMILESCc1cc(-c2ncc[nH]2)c(=O)[nH]n1
InChIInChI=1S/C8H8N4O/c1-5-4-6(8(13)12-11-5)7-9-2-3-10-7/h2-4H,1H3,(H,9,10)(H,12,13)
InChIKeyHMGTWWSRRNXXIS-UHFFFAOYSA-N
MW176.18 g/mol
LogP0.47
Rot. Bonds1

About 5-(1H-imidazol-2-yl)-3-methyl-1H-pyridazin-6-one

5-(1H-imidazol-2-yl)-3-methyl-1H-pyridazin-6-one (PubChem CID 135988477) has the molecular formula C8H8N4O and a molecular weight of 176.18 g/mol. Its IUPAC name is 5-(1H-imidazol-2-yl)-3-methyl-1H-pyridazin-6-one.

Molecular Properties

Compound Name5-(1H-imidazol-2-yl)-3-methyl-1H-pyridazin-6-one
PubChem CID135988477
Molecular FormulaC8H8N4O
Molecular Weight176.18 g/mol
Exact Mass176.07
IUPAC Name5-(1H-imidazol-2-yl)-3-methyl-1H-pyridazin-6-one
SMILESCc1cc(-c2ncc[nH]2)c(=O)[nH]n1
InChIInChI=1S/C8H8N4O/c1-5-4-6(8(13)12-11-5)7-9-2-3-10-7/h2-4H,1H3,(H,9,10)(H,12,13)
InChIKeyHMGTWWSRRNXXIS-UHFFFAOYSA-N
XLogP0.47
TPSA74.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.18
LogP ≤ 50.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(1H-imidazol-2-yl)-3-methyl-1H-pyridazin-6-one?
The IUPAC name of 5-(1H-imidazol-2-yl)-3-methyl-1H-pyridazin-6-one (CID 135988477) is 5-(1H-imidazol-2-yl)-3-methyl-1H-pyridazin-6-one.
What is the SMILES notation for 5-(1H-imidazol-2-yl)-3-methyl-1H-pyridazin-6-one?
The canonical SMILES for 5-(1H-imidazol-2-yl)-3-methyl-1H-pyridazin-6-one is Cc1cc(-c2ncc[nH]2)c(=O)[nH]n1.
What is the InChIKey of 5-(1H-imidazol-2-yl)-3-methyl-1H-pyridazin-6-one?
The InChIKey is HMGTWWSRRNXXIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N4O/c1-5-4-6(8(13)12-11-5)7-9-2-3-10-7/h2-4H,1H3,(H,9,10)(H,12,13).
What are the key properties of 5-(1H-imidazol-2-yl)-3-methyl-1H-pyridazin-6-one?
5-(1H-imidazol-2-yl)-3-methyl-1H-pyridazin-6-one has a molecular weight of 176.18 g/mol, XLogP of 0.47, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1H-imidazol-2-yl)-3-methyl-1H-pyridazin-6-one is sourced from PubChem (CID 135988477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).