5-amino-3-pyridin-4-yl-1H-pyridazin-6-one;hydrate;hydrochloride

C9H11ClN4O2 — CID 20527782

IUPAC5-amino-3-pyridin-4-yl-1H-pyridazin-6-one;hydrate;hydrochloride
SMILESCl.Nc1cc(-c2ccncc2)n[nH]c1=O.O
InChIInChI=1S/C9H8N4O.ClH.H2O/c10-7-5-8(12-13-9(7)14)6-1-3-11-4-2-6;;/h1-5H,(H2,10,12)(H,13,14);1H;1H2
InChIKeyRKFHLJIBWYXRKJ-UHFFFAOYSA-N
MW242.67 g/mol
LogP0.01
Rot. Bonds1

About 5-amino-3-pyridin-4-yl-1H-pyridazin-6-one;hydrate;hydrochloride

5-amino-3-pyridin-4-yl-1H-pyridazin-6-one;hydrate;hydrochloride (PubChem CID 20527782) has the molecular formula C9H11ClN4O2 and a molecular weight of 242.67 g/mol. Its IUPAC name is 5-amino-3-pyridin-4-yl-1H-pyridazin-6-one;hydrate;hydrochloride.

Molecular Properties

Compound Name5-amino-3-pyridin-4-yl-1H-pyridazin-6-one;hydrate;hydrochloride
PubChem CID20527782
Molecular FormulaC9H11ClN4O2
Molecular Weight242.67 g/mol
Exact Mass242.06
IUPAC Name5-amino-3-pyridin-4-yl-1H-pyridazin-6-one;hydrate;hydrochloride
SMILESCl.Nc1cc(-c2ccncc2)n[nH]c1=O.O
InChIInChI=1S/C9H8N4O.ClH.H2O/c10-7-5-8(12-13-9(7)14)6-1-3-11-4-2-6;;/h1-5H,(H2,10,12)(H,13,14);1H;1H2
InChIKeyRKFHLJIBWYXRKJ-UHFFFAOYSA-N
XLogP0.01
TPSA116.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.67
LogP ≤ 50.01
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-4-yl-1H-pyridazin-6-one;hydrate;hydrochloride?
The IUPAC name of 5-amino-3-pyridin-4-yl-1H-pyridazin-6-one;hydrate;hydrochloride (CID 20527782) is 5-amino-3-pyridin-4-yl-1H-pyridazin-6-one;hydrate;hydrochloride.
What is the SMILES notation for 5-amino-3-pyridin-4-yl-1H-pyridazin-6-one;hydrate;hydrochloride?
The canonical SMILES for 5-amino-3-pyridin-4-yl-1H-pyridazin-6-one;hydrate;hydrochloride is Cl.Nc1cc(-c2ccncc2)n[nH]c1=O.O.
What is the InChIKey of 5-amino-3-pyridin-4-yl-1H-pyridazin-6-one;hydrate;hydrochloride?
The InChIKey is RKFHLJIBWYXRKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N4O.ClH.H2O/c10-7-5-8(12-13-9(7)14)6-1-3-11-4-2-6;;/h1-5H,(H2,10,12)(H,13,14);1H;1H2.
What are the key properties of 5-amino-3-pyridin-4-yl-1H-pyridazin-6-one;hydrate;hydrochloride?
5-amino-3-pyridin-4-yl-1H-pyridazin-6-one;hydrate;hydrochloride has a molecular weight of 242.67 g/mol, XLogP of 0.01, 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-4-yl-1H-pyridazin-6-one;hydrate;hydrochloride is sourced from PubChem (CID 20527782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).