5-amino-3-pyridin-3-yl-1H-pyridazin-6-one

C9H8N4O — CID 14435158

IUPAC5-amino-3-pyridin-3-yl-1H-pyridazin-6-one
SMILESNc1cc(-c2cccnc2)n[nH]c1=O
InChIInChI=1S/C9H8N4O/c10-7-4-8(12-13-9(7)14)6-2-1-3-11-5-6/h1-5H,(H2,10,12)(H,13,14)
InChIKeyBSWOLWVPOVGXQV-UHFFFAOYSA-N
MW188.19 g/mol
LogP0.41
Rot. Bonds1

About 5-amino-3-pyridin-3-yl-1H-pyridazin-6-one

5-amino-3-pyridin-3-yl-1H-pyridazin-6-one (PubChem CID 14435158) has the molecular formula C9H8N4O and a molecular weight of 188.19 g/mol. Its IUPAC name is 5-amino-3-pyridin-3-yl-1H-pyridazin-6-one.

Molecular Properties

Compound Name5-amino-3-pyridin-3-yl-1H-pyridazin-6-one
PubChem CID14435158
Molecular FormulaC9H8N4O
Molecular Weight188.19 g/mol
Exact Mass188.07
IUPAC Name5-amino-3-pyridin-3-yl-1H-pyridazin-6-one
SMILESNc1cc(-c2cccnc2)n[nH]c1=O
InChIInChI=1S/C9H8N4O/c10-7-4-8(12-13-9(7)14)6-2-1-3-11-5-6/h1-5H,(H2,10,12)(H,13,14)
InChIKeyBSWOLWVPOVGXQV-UHFFFAOYSA-N
XLogP0.41
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.19
LogP ≤ 50.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-amino-3-pyridin-3-yl-1H-pyridazin-6-one?
The IUPAC name of 5-amino-3-pyridin-3-yl-1H-pyridazin-6-one (CID 14435158) is 5-amino-3-pyridin-3-yl-1H-pyridazin-6-one.
What is the SMILES notation for 5-amino-3-pyridin-3-yl-1H-pyridazin-6-one?
The canonical SMILES for 5-amino-3-pyridin-3-yl-1H-pyridazin-6-one is Nc1cc(-c2cccnc2)n[nH]c1=O.
What is the InChIKey of 5-amino-3-pyridin-3-yl-1H-pyridazin-6-one?
The InChIKey is BSWOLWVPOVGXQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N4O/c10-7-4-8(12-13-9(7)14)6-2-1-3-11-5-6/h1-5H,(H2,10,12)(H,13,14).
What are the key properties of 5-amino-3-pyridin-3-yl-1H-pyridazin-6-one?
5-amino-3-pyridin-3-yl-1H-pyridazin-6-one has a molecular weight of 188.19 g/mol, XLogP of 0.41, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-3-pyridin-3-yl-1H-pyridazin-6-one is sourced from PubChem (CID 14435158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).