5-amino-3-(2-methylimidazol-1-yl)-1H-pyridazin-6-one

C8H9N5O — CID 122239390

IUPAC5-amino-3-(2-methylimidazol-1-yl)-1H-pyridazin-6-one
SMILESCc1nccn1-c1cc(N)c(=O)[nH]n1
InChIInChI=1S/C8H9N5O/c1-5-10-2-3-13(5)7-4-6(9)8(14)12-11-7/h2-4H,1H3,(H2,9,11)(H,12,14)
InChIKeyBALIIKWLLQVOIS-UHFFFAOYSA-N
MW191.19 g/mol
LogP-0.15
Rot. Bonds1

About 5-amino-3-(2-methylimidazol-1-yl)-1H-pyridazin-6-one

5-amino-3-(2-methylimidazol-1-yl)-1H-pyridazin-6-one (PubChem CID 122239390) has the molecular formula C8H9N5O and a molecular weight of 191.19 g/mol. Its IUPAC name is 5-amino-3-(2-methylimidazol-1-yl)-1H-pyridazin-6-one.

Molecular Properties

Compound Name5-amino-3-(2-methylimidazol-1-yl)-1H-pyridazin-6-one
PubChem CID122239390
Molecular FormulaC8H9N5O
Molecular Weight191.19 g/mol
Exact Mass191.08
IUPAC Name5-amino-3-(2-methylimidazol-1-yl)-1H-pyridazin-6-one
SMILESCc1nccn1-c1cc(N)c(=O)[nH]n1
InChIInChI=1S/C8H9N5O/c1-5-10-2-3-13(5)7-4-6(9)8(14)12-11-7/h2-4H,1H3,(H2,9,11)(H,12,14)
InChIKeyBALIIKWLLQVOIS-UHFFFAOYSA-N
XLogP-0.15
TPSA89.59 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.19
LogP ≤ 5-0.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 5-amino-3-(2-methylimidazol-1-yl)-1H-pyridazin-6-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-amino-3-(2-methylimidazol-1-yl)-1H-pyridazin-6-one?
The IUPAC name of 5-amino-3-(2-methylimidazol-1-yl)-1H-pyridazin-6-one (CID 122239390) is 5-amino-3-(2-methylimidazol-1-yl)-1H-pyridazin-6-one.
What is the SMILES notation for 5-amino-3-(2-methylimidazol-1-yl)-1H-pyridazin-6-one?
The canonical SMILES for 5-amino-3-(2-methylimidazol-1-yl)-1H-pyridazin-6-one is Cc1nccn1-c1cc(N)c(=O)[nH]n1.
What is the InChIKey of 5-amino-3-(2-methylimidazol-1-yl)-1H-pyridazin-6-one?
The InChIKey is BALIIKWLLQVOIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N5O/c1-5-10-2-3-13(5)7-4-6(9)8(14)12-11-7/h2-4H,1H3,(H2,9,11)(H,12,14).
What are the key properties of 5-amino-3-(2-methylimidazol-1-yl)-1H-pyridazin-6-one?
5-amino-3-(2-methylimidazol-1-yl)-1H-pyridazin-6-one has a molecular weight of 191.19 g/mol, XLogP of -0.15, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-3-(2-methylimidazol-1-yl)-1H-pyridazin-6-one is sourced from PubChem (CID 122239390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).