[6-(1-hydroxy-2-methoxyethyl)pyridazin-3-yl]carbamic acid

C8H11N3O4 — CID 170340109

IUPAC[6-(1-hydroxy-2-methoxyethyl)pyridazin-3-yl]carbamic acid
SMILESCOCC(O)c1ccc(NC(=O)O)nn1
InChIInChI=1S/C8H11N3O4/c1-15-4-6(12)5-2-3-7(11-10-5)9-8(13)14/h2-3,6,12H,4H2,1H3,(H,9,11)(H,13,14)
InChIKeyIURCIMHLMIHSPO-UHFFFAOYSA-N
MW213.19 g/mol
LogP0.25
Rot. Bonds4

About [6-(1-hydroxy-2-methoxyethyl)pyridazin-3-yl]carbamic acid

[6-(1-hydroxy-2-methoxyethyl)pyridazin-3-yl]carbamic acid (PubChem CID 170340109) has the molecular formula C8H11N3O4 and a molecular weight of 213.19 g/mol. Its IUPAC name is [6-(1-hydroxy-2-methoxyethyl)pyridazin-3-yl]carbamic acid.

Molecular Properties

Compound Name[6-(1-hydroxy-2-methoxyethyl)pyridazin-3-yl]carbamic acid
PubChem CID170340109
Molecular FormulaC8H11N3O4
Molecular Weight213.19 g/mol
Exact Mass213.07
IUPAC Name[6-(1-hydroxy-2-methoxyethyl)pyridazin-3-yl]carbamic acid
SMILESCOCC(O)c1ccc(NC(=O)O)nn1
InChIInChI=1S/C8H11N3O4/c1-15-4-6(12)5-2-3-7(11-10-5)9-8(13)14/h2-3,6,12H,4H2,1H3,(H,9,11)(H,13,14)
InChIKeyIURCIMHLMIHSPO-UHFFFAOYSA-N
XLogP0.25
TPSA104.57 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.19
LogP ≤ 50.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [6-(1-hydroxy-2-methoxyethyl)pyridazin-3-yl]carbamic acid?
The IUPAC name of [6-(1-hydroxy-2-methoxyethyl)pyridazin-3-yl]carbamic acid (CID 170340109) is [6-(1-hydroxy-2-methoxyethyl)pyridazin-3-yl]carbamic acid.
What is the SMILES notation for [6-(1-hydroxy-2-methoxyethyl)pyridazin-3-yl]carbamic acid?
The canonical SMILES for [6-(1-hydroxy-2-methoxyethyl)pyridazin-3-yl]carbamic acid is COCC(O)c1ccc(NC(=O)O)nn1.
What is the InChIKey of [6-(1-hydroxy-2-methoxyethyl)pyridazin-3-yl]carbamic acid?
The InChIKey is IURCIMHLMIHSPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3O4/c1-15-4-6(12)5-2-3-7(11-10-5)9-8(13)14/h2-3,6,12H,4H2,1H3,(H,9,11)(H,13,14).
What are the key properties of [6-(1-hydroxy-2-methoxyethyl)pyridazin-3-yl]carbamic acid?
[6-(1-hydroxy-2-methoxyethyl)pyridazin-3-yl]carbamic acid has a molecular weight of 213.19 g/mol, XLogP of 0.25, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(1-hydroxy-2-methoxyethyl)pyridazin-3-yl]carbamic acid is sourced from PubChem (CID 170340109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).