[6-(1-hydroxyethyl)pyridazin-3-yl]carbamic acid

C7H9N3O3 — CID 170340000

IUPAC[6-(1-hydroxyethyl)pyridazin-3-yl]carbamic acid
SMILESCC(O)c1ccc(NC(=O)O)nn1
InChIInChI=1S/C7H9N3O3/c1-4(11)5-2-3-6(10-9-5)8-7(12)13/h2-4,11H,1H3,(H,8,10)(H,12,13)
InChIKeySLKFKCGYDSNXEP-UHFFFAOYSA-N
MW183.17 g/mol
LogP0.62
Rot. Bonds2

About [6-(1-hydroxyethyl)pyridazin-3-yl]carbamic acid

[6-(1-hydroxyethyl)pyridazin-3-yl]carbamic acid (PubChem CID 170340000) has the molecular formula C7H9N3O3 and a molecular weight of 183.17 g/mol. Its IUPAC name is [6-(1-hydroxyethyl)pyridazin-3-yl]carbamic acid.

Molecular Properties

Compound Name[6-(1-hydroxyethyl)pyridazin-3-yl]carbamic acid
PubChem CID170340000
Molecular FormulaC7H9N3O3
Molecular Weight183.17 g/mol
Exact Mass183.06
IUPAC Name[6-(1-hydroxyethyl)pyridazin-3-yl]carbamic acid
SMILESCC(O)c1ccc(NC(=O)O)nn1
InChIInChI=1S/C7H9N3O3/c1-4(11)5-2-3-6(10-9-5)8-7(12)13/h2-4,11H,1H3,(H,8,10)(H,12,13)
InChIKeySLKFKCGYDSNXEP-UHFFFAOYSA-N
XLogP0.62
TPSA95.34 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.17
LogP ≤ 50.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [6-(1-hydroxyethyl)pyridazin-3-yl]carbamic acid?
The IUPAC name of [6-(1-hydroxyethyl)pyridazin-3-yl]carbamic acid (CID 170340000) is [6-(1-hydroxyethyl)pyridazin-3-yl]carbamic acid.
What is the SMILES notation for [6-(1-hydroxyethyl)pyridazin-3-yl]carbamic acid?
The canonical SMILES for [6-(1-hydroxyethyl)pyridazin-3-yl]carbamic acid is CC(O)c1ccc(NC(=O)O)nn1.
What is the InChIKey of [6-(1-hydroxyethyl)pyridazin-3-yl]carbamic acid?
The InChIKey is SLKFKCGYDSNXEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N3O3/c1-4(11)5-2-3-6(10-9-5)8-7(12)13/h2-4,11H,1H3,(H,8,10)(H,12,13).
What are the key properties of [6-(1-hydroxyethyl)pyridazin-3-yl]carbamic acid?
[6-(1-hydroxyethyl)pyridazin-3-yl]carbamic acid has a molecular weight of 183.17 g/mol, XLogP of 0.62, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(1-hydroxyethyl)pyridazin-3-yl]carbamic acid is sourced from PubChem (CID 170340000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).