6-amino-2-(2-methoxyethyl)pyridazin-1-ium-3-one

C7H12N3O2+ — CID 162364126

IUPAC6-amino-2-(2-methoxyethyl)pyridazin-1-ium-3-one
SMILESCOCCn1[nH+]c(N)ccc1=O
InChIInChI=1S/C7H11N3O2/c1-12-5-4-10-7(11)3-2-6(8)9-10/h2-3H,4-5H2,1H3,(H2,8,9)/p+1
InChIKeyJOFSSVDUNAAJAE-UHFFFAOYSA-O
MW170.19 g/mol
LogP-1.11
Rot. Bonds3

About 6-amino-2-(2-methoxyethyl)pyridazin-1-ium-3-one

6-amino-2-(2-methoxyethyl)pyridazin-1-ium-3-one (PubChem CID 162364126) has the molecular formula C7H12N3O2+ and a molecular weight of 170.19 g/mol. Its IUPAC name is 6-amino-2-(2-methoxyethyl)pyridazin-1-ium-3-one.

Molecular Properties

Compound Name6-amino-2-(2-methoxyethyl)pyridazin-1-ium-3-one
PubChem CID162364126
Molecular FormulaC7H12N3O2+
Molecular Weight170.19 g/mol
Exact Mass170.09
IUPAC Name6-amino-2-(2-methoxyethyl)pyridazin-1-ium-3-one
SMILESCOCCn1[nH+]c(N)ccc1=O
InChIInChI=1S/C7H11N3O2/c1-12-5-4-10-7(11)3-2-6(8)9-10/h2-3H,4-5H2,1H3,(H2,8,9)/p+1
InChIKeyJOFSSVDUNAAJAE-UHFFFAOYSA-O
XLogP-1.11
TPSA71.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.19
LogP ≤ 5-1.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-amino-2-(2-methoxyethyl)pyridazin-1-ium-3-one?
The IUPAC name of 6-amino-2-(2-methoxyethyl)pyridazin-1-ium-3-one (CID 162364126) is 6-amino-2-(2-methoxyethyl)pyridazin-1-ium-3-one.
What is the SMILES notation for 6-amino-2-(2-methoxyethyl)pyridazin-1-ium-3-one?
The canonical SMILES for 6-amino-2-(2-methoxyethyl)pyridazin-1-ium-3-one is COCCn1[nH+]c(N)ccc1=O.
What is the InChIKey of 6-amino-2-(2-methoxyethyl)pyridazin-1-ium-3-one?
The InChIKey is JOFSSVDUNAAJAE-UHFFFAOYSA-O. The full InChI is InChI=1S/C7H11N3O2/c1-12-5-4-10-7(11)3-2-6(8)9-10/h2-3H,4-5H2,1H3,(H2,8,9)/p+1.
What are the key properties of 6-amino-2-(2-methoxyethyl)pyridazin-1-ium-3-one?
6-amino-2-(2-methoxyethyl)pyridazin-1-ium-3-one has a molecular weight of 170.19 g/mol, XLogP of -1.11, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-2-(2-methoxyethyl)pyridazin-1-ium-3-one is sourced from PubChem (CID 162364126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).