5-amino-4-prop-2-enyl-1H-pyridazin-6-one

C7H9N3O — CID 174490166

IUPAC5-amino-4-prop-2-enyl-1H-pyridazin-6-one
SMILESC=CCc1cn[nH]c(=O)c1N
InChIInChI=1S/C7H9N3O/c1-2-3-5-4-9-10-7(11)6(5)8/h2,4H,1,3H2,(H2,8,9)(H,10,11)
InChIKeyYDIXGDOATGYSJZ-UHFFFAOYSA-N
MW151.17 g/mol
LogP0.08
Rot. Bonds2

About 5-amino-4-prop-2-enyl-1H-pyridazin-6-one

5-amino-4-prop-2-enyl-1H-pyridazin-6-one (PubChem CID 174490166) has the molecular formula C7H9N3O and a molecular weight of 151.17 g/mol. Its IUPAC name is 5-amino-4-prop-2-enyl-1H-pyridazin-6-one.

Molecular Properties

Compound Name5-amino-4-prop-2-enyl-1H-pyridazin-6-one
PubChem CID174490166
Molecular FormulaC7H9N3O
Molecular Weight151.17 g/mol
Exact Mass151.07
IUPAC Name5-amino-4-prop-2-enyl-1H-pyridazin-6-one
SMILESC=CCc1cn[nH]c(=O)c1N
InChIInChI=1S/C7H9N3O/c1-2-3-5-4-9-10-7(11)6(5)8/h2,4H,1,3H2,(H2,8,9)(H,10,11)
InChIKeyYDIXGDOATGYSJZ-UHFFFAOYSA-N
XLogP0.08
TPSA71.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.17
LogP ≤ 50.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-amino-4-prop-2-enyl-1H-pyridazin-6-one?
The IUPAC name of 5-amino-4-prop-2-enyl-1H-pyridazin-6-one (CID 174490166) is 5-amino-4-prop-2-enyl-1H-pyridazin-6-one.
What is the SMILES notation for 5-amino-4-prop-2-enyl-1H-pyridazin-6-one?
The canonical SMILES for 5-amino-4-prop-2-enyl-1H-pyridazin-6-one is C=CCc1cn[nH]c(=O)c1N.
What is the InChIKey of 5-amino-4-prop-2-enyl-1H-pyridazin-6-one?
The InChIKey is YDIXGDOATGYSJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N3O/c1-2-3-5-4-9-10-7(11)6(5)8/h2,4H,1,3H2,(H2,8,9)(H,10,11).
What are the key properties of 5-amino-4-prop-2-enyl-1H-pyridazin-6-one?
5-amino-4-prop-2-enyl-1H-pyridazin-6-one has a molecular weight of 151.17 g/mol, XLogP of 0.08, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-4-prop-2-enyl-1H-pyridazin-6-one is sourced from PubChem (CID 174490166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).