An official website of the United States government

CID 341354

PubChem CID
341354
Structure
CID 341354_small.png
Preferred Compound
Molecular Formula
Status
Non-live
Molecular Weight
322.28 g/mol
Dates
  • Create:
    2005-03-26

1 Structures

1.1 2D Structure

Chemical Structure Depiction
CID 341354.png

2 Names and Identifiers

2.1 Computed Descriptors

2.1.1 IUPAC Name

3-cyano-2,8-dioxo-5-phenyl-6,7-dihydropyrido[2,3-d]pyridazine-4-carbohydrazide

2.1.2 InChI

InChI=1S/C15H10N6O3/c16-6-8-9(14(23)19-17)10-11(7-4-2-1-3-5-7)20-21-15(24)12(10)18-13(8)22/h1-5,20H,17H2,(H,19,23)(H,21,24)

2.1.3 InChIKey

WWHMVAKTHLTTAQ-UHFFFAOYSA-N

2.1.4 SMILES

C1=CC=C(C=C1)C2=C3C(=C(C(=O)N=C3C(=O)NN2)C#N)C(=O)NN

2.2 Molecular Formula

C15H10N6O3

3 Chemical and Physical Properties

3.1 Computed Properties

Property Name
Molecular Weight
Property Value
322.28 g/mol
Property Name
XLogP3-AA
Property Value
-0.5
Property Name
Hydrogen Bond Donor Count
Property Value
4
Property Name
Hydrogen Bond Acceptor Count
Property Value
6
Property Name
Rotatable Bond Count
Property Value
2
Property Name
Exact Mass
Property Value
322.08143820 g/mol
Property Name
Monoisotopic Mass
Property Value
322.08143820 g/mol
Property Name
Topological Polar Surface Area
Property Value
149 A^2
Property Name
Heavy Atom Count
Property Value
24
Property Name
Formal Charge
Property Value
0
Property Name
Complexity
Property Value
776
Property Name
Isotope Atom Count
Property Value
0
Property Name
Defined Atom Stereocenter Count
Property Value
0
Property Name
Undefined Atom Stereocenter Count
Property Value
0
Property Name
Defined Bond Stereocenter Count
Property Value
0
Property Name
Undefined Bond Stereocenter Count
Property Value
0
Property Name
Covalently-Bonded Unit Count
Property Value
1
Property Name
Compound Is Canonicalized
Property Value
Yes

5 Information Sources

CONTENTS