4-chloro-2-prop-2-enyl-5-(prop-2-enylamino)pyridazin-3-one

C10H12ClN3O — CID 114436872

IUPAC4-chloro-2-prop-2-enyl-5-(prop-2-enylamino)pyridazin-3-one
SMILESC=CCNc1cnn(CC=C)c(=O)c1Cl
InChIInChI=1S/C10H12ClN3O/c1-3-5-12-8-7-13-14(6-4-2)10(15)9(8)11/h3-4,7,12H,1-2,5-6H2
InChIKeyGJXOXUYCFZNHQT-UHFFFAOYSA-N
MW225.68 g/mol
LogP1.68
Rot. Bonds5

About 4-chloro-2-prop-2-enyl-5-(prop-2-enylamino)pyridazin-3-one

4-chloro-2-prop-2-enyl-5-(prop-2-enylamino)pyridazin-3-one (PubChem CID 114436872) has the molecular formula C10H12ClN3O and a molecular weight of 225.68 g/mol. Its IUPAC name is 4-chloro-2-prop-2-enyl-5-(prop-2-enylamino)pyridazin-3-one.

Molecular Properties

Compound Name4-chloro-2-prop-2-enyl-5-(prop-2-enylamino)pyridazin-3-one
PubChem CID114436872
Molecular FormulaC10H12ClN3O
Molecular Weight225.68 g/mol
Exact Mass225.07
IUPAC Name4-chloro-2-prop-2-enyl-5-(prop-2-enylamino)pyridazin-3-one
SMILESC=CCNc1cnn(CC=C)c(=O)c1Cl
InChIInChI=1S/C10H12ClN3O/c1-3-5-12-8-7-13-14(6-4-2)10(15)9(8)11/h3-4,7,12H,1-2,5-6H2
InChIKeyGJXOXUYCFZNHQT-UHFFFAOYSA-N
XLogP1.68
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.68
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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 4-chloro-2-prop-2-enyl-5-(prop-2-enylamino)pyridazin-3-one?
The IUPAC name of 4-chloro-2-prop-2-enyl-5-(prop-2-enylamino)pyridazin-3-one (CID 114436872) is 4-chloro-2-prop-2-enyl-5-(prop-2-enylamino)pyridazin-3-one.
What is the SMILES notation for 4-chloro-2-prop-2-enyl-5-(prop-2-enylamino)pyridazin-3-one?
The canonical SMILES for 4-chloro-2-prop-2-enyl-5-(prop-2-enylamino)pyridazin-3-one is C=CCNc1cnn(CC=C)c(=O)c1Cl.
What is the InChIKey of 4-chloro-2-prop-2-enyl-5-(prop-2-enylamino)pyridazin-3-one?
The InChIKey is GJXOXUYCFZNHQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClN3O/c1-3-5-12-8-7-13-14(6-4-2)10(15)9(8)11/h3-4,7,12H,1-2,5-6H2.
What are the key properties of 4-chloro-2-prop-2-enyl-5-(prop-2-enylamino)pyridazin-3-one?
4-chloro-2-prop-2-enyl-5-(prop-2-enylamino)pyridazin-3-one has a molecular weight of 225.68 g/mol, XLogP of 1.68, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-prop-2-enyl-5-(prop-2-enylamino)pyridazin-3-one is sourced from PubChem (CID 114436872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).