5-amino-2-(2-hydroxyethyl)pyridazin-1-ium-3-one perchlorate

C6H10ClN3O6 — CID 21449749

IUPAC5-amino-2-(2-hydroxyethyl)pyridazin-1-ium-3-one perchlorate
SMILESNc1c[nH+]n(CCO)c(=O)c1.[O-][Cl+3]([O-])([O-])[O-]
InChIInChI=1S/C6H9N3O2.ClHO4/c7-5-3-6(11)9(1-2-10)8-4-5;2-1(3,4)5/h3-4,10H,1-2,7H2;(H,2,3,4,5)
InChIKeyVBHKYIOAUJAMFA-UHFFFAOYSA-N
MW255.61 g/mol
LogP-6.52
Rot. Bonds2

About 5-amino-2-(2-hydroxyethyl)pyridazin-1-ium-3-one perchlorate

5-amino-2-(2-hydroxyethyl)pyridazin-1-ium-3-one perchlorate (PubChem CID 21449749) has the molecular formula C6H10ClN3O6 and a molecular weight of 255.61 g/mol. Its IUPAC name is 5-amino-2-(2-hydroxyethyl)pyridazin-1-ium-3-one perchlorate.

Molecular Properties

Compound Name5-amino-2-(2-hydroxyethyl)pyridazin-1-ium-3-one perchlorate
PubChem CID21449749
Molecular FormulaC6H10ClN3O6
Molecular Weight255.61 g/mol
Exact Mass255.03
IUPAC Name5-amino-2-(2-hydroxyethyl)pyridazin-1-ium-3-one perchlorate
SMILESNc1c[nH+]n(CCO)c(=O)c1.[O-][Cl+3]([O-])([O-])[O-]
InChIInChI=1S/C6H9N3O2.ClHO4/c7-5-3-6(11)9(1-2-10)8-4-5;2-1(3,4)5/h3-4,10H,1-2,7H2;(H,2,3,4,5)
InChIKeyVBHKYIOAUJAMFA-UHFFFAOYSA-N
XLogP-6.52
TPSA174.63 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.61
LogP ≤ 5-6.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 5-amino-2-(2-hydroxyethyl)pyridazin-1-ium-3-one perchlorate?
The IUPAC name of 5-amino-2-(2-hydroxyethyl)pyridazin-1-ium-3-one perchlorate (CID 21449749) is 5-amino-2-(2-hydroxyethyl)pyridazin-1-ium-3-one perchlorate.
What is the SMILES notation for 5-amino-2-(2-hydroxyethyl)pyridazin-1-ium-3-one perchlorate?
The canonical SMILES for 5-amino-2-(2-hydroxyethyl)pyridazin-1-ium-3-one perchlorate is Nc1c[nH+]n(CCO)c(=O)c1.[O-][Cl+3]([O-])([O-])[O-].
What is the InChIKey of 5-amino-2-(2-hydroxyethyl)pyridazin-1-ium-3-one perchlorate?
The InChIKey is VBHKYIOAUJAMFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N3O2.ClHO4/c7-5-3-6(11)9(1-2-10)8-4-5;2-1(3,4)5/h3-4,10H,1-2,7H2;(H,2,3,4,5).
What are the key properties of 5-amino-2-(2-hydroxyethyl)pyridazin-1-ium-3-one perchlorate?
5-amino-2-(2-hydroxyethyl)pyridazin-1-ium-3-one perchlorate has a molecular weight of 255.61 g/mol, XLogP of -6.52, 2 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-(2-hydroxyethyl)pyridazin-1-ium-3-one perchlorate is sourced from PubChem (CID 21449749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).