4-ethenyl-5-(methylideneamino)-1,2-dihydropyridazine-3,6-dione

C7H7N3O2 — CID 142388325

IUPAC4-ethenyl-5-(methylideneamino)-1,2-dihydropyridazine-3,6-dione
SMILESC=Cc1c(N=C)c(=O)[nH][nH]c1=O
InChIInChI=1S/C7H7N3O2/c1-3-4-5(8-2)7(12)10-9-6(4)11/h3H,1-2H2,(H,9,11)(H,10,12)
InChIKeyNMQUAMYGUJYSLM-UHFFFAOYSA-N
MW165.15 g/mol
LogP0.04
Rot. Bonds2

About 4-ethenyl-5-(methylideneamino)-1,2-dihydropyridazine-3,6-dione

4-ethenyl-5-(methylideneamino)-1,2-dihydropyridazine-3,6-dione (PubChem CID 142388325) has the molecular formula C7H7N3O2 and a molecular weight of 165.15 g/mol. Its IUPAC name is 4-ethenyl-5-(methylideneamino)-1,2-dihydropyridazine-3,6-dione.

Molecular Properties

Compound Name4-ethenyl-5-(methylideneamino)-1,2-dihydropyridazine-3,6-dione
PubChem CID142388325
Molecular FormulaC7H7N3O2
Molecular Weight165.15 g/mol
Exact Mass165.05
IUPAC Name4-ethenyl-5-(methylideneamino)-1,2-dihydropyridazine-3,6-dione
SMILESC=Cc1c(N=C)c(=O)[nH][nH]c1=O
InChIInChI=1S/C7H7N3O2/c1-3-4-5(8-2)7(12)10-9-6(4)11/h3H,1-2H2,(H,9,11)(H,10,12)
InChIKeyNMQUAMYGUJYSLM-UHFFFAOYSA-N
XLogP0.04
TPSA78.08 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.15
LogP ≤ 50.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

3-ethenyl-4-fluoro-2-(methylideneamino)benzenesulfonyl chloride
CID 144700015
5-ethenyl-2-[(4-fluorophenyl)methyl]-4,7-dihydroxy-6-(methylideneamino)isoindole-1,3-dione
CID 143334251
4,5-bis(ethenyl)-2-ethyl-1H-pyrimidin-6-one
CID 143553883
3-hydroxy-5-oxo-1,2-dihydropyrazole-4-carbaldehyde
CID 135763221
4-ethenyl-5-(methylideneamino)-1H-pyrrol-3-amine
CID 166528890
2-ethenyl-3-(methylideneamino)cyclohex-2-en-1-one
CID 144648325
4-ethenyl-1H-pyrrole-2,3-dione
CID 23179936
5-ethenyl-4-methyl-1H-pyrimidin-6-one
CID 142197418
4-ethenyl-3-methyl-5-(methylideneamino)-1H-imidazol-2-one
CID 143293680
2,3-bis(ethenyl)-4-methyl-1H-pyrrole;ethane
CID 142006410
2,3-bis(ethenyl)-4-ethyl-1H-pyrrole
CID 142984451
6-(methylamino)-5-(methylideneamino)-2-sulfanylidene-1H-pyrimidin-4-one
CID 163849090

Frequently Asked Questions

What is the IUPAC name of 4-ethenyl-5-(methylideneamino)-1,2-dihydropyridazine-3,6-dione?
The IUPAC name of 4-ethenyl-5-(methylideneamino)-1,2-dihydropyridazine-3,6-dione (CID 142388325) is 4-ethenyl-5-(methylideneamino)-1,2-dihydropyridazine-3,6-dione.
What is the SMILES notation for 4-ethenyl-5-(methylideneamino)-1,2-dihydropyridazine-3,6-dione?
The canonical SMILES for 4-ethenyl-5-(methylideneamino)-1,2-dihydropyridazine-3,6-dione is C=Cc1c(N=C)c(=O)[nH][nH]c1=O.
What is the InChIKey of 4-ethenyl-5-(methylideneamino)-1,2-dihydropyridazine-3,6-dione?
The InChIKey is NMQUAMYGUJYSLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7N3O2/c1-3-4-5(8-2)7(12)10-9-6(4)11/h3H,1-2H2,(H,9,11)(H,10,12).
What are the key properties of 4-ethenyl-5-(methylideneamino)-1,2-dihydropyridazine-3,6-dione?
4-ethenyl-5-(methylideneamino)-1,2-dihydropyridazine-3,6-dione has a molecular weight of 165.15 g/mol, XLogP of 0.04, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethenyl-5-(methylideneamino)-1,2-dihydropyridazine-3,6-dione is sourced from PubChem (CID 142388325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).