4-amino-6-ethenyl-2-methylpyridazin-3-one

C7H9N3O — CID 118928700

IUPAC4-amino-6-ethenyl-2-methylpyridazin-3-one
SMILESC=Cc1cc(N)c(=O)n(C)n1
InChIInChI=1S/C7H9N3O/c1-3-5-4-6(8)7(11)10(2)9-5/h3-4H,1,8H2,2H3
InChIKeyZSGQEMXQFBORFA-UHFFFAOYSA-N
MW151.17 g/mol
LogP0.01
Rot. Bonds1

About 4-amino-6-ethenyl-2-methylpyridazin-3-one

4-amino-6-ethenyl-2-methylpyridazin-3-one (PubChem CID 118928700) has the molecular formula C7H9N3O and a molecular weight of 151.17 g/mol. Its IUPAC name is 4-amino-6-ethenyl-2-methylpyridazin-3-one.

Molecular Properties

Compound Name4-amino-6-ethenyl-2-methylpyridazin-3-one
PubChem CID118928700
Molecular FormulaC7H9N3O
Molecular Weight151.17 g/mol
Exact Mass151.07
IUPAC Name4-amino-6-ethenyl-2-methylpyridazin-3-one
SMILESC=Cc1cc(N)c(=O)n(C)n1
InChIInChI=1S/C7H9N3O/c1-3-5-4-6(8)7(11)10(2)9-5/h3-4H,1,8H2,2H3
InChIKeyZSGQEMXQFBORFA-UHFFFAOYSA-N
XLogP0.01
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.17
LogP ≤ 50.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-amino-6-ethenyl-2-methylpyridazin-3-one?
The IUPAC name of 4-amino-6-ethenyl-2-methylpyridazin-3-one (CID 118928700) is 4-amino-6-ethenyl-2-methylpyridazin-3-one.
What is the SMILES notation for 4-amino-6-ethenyl-2-methylpyridazin-3-one?
The canonical SMILES for 4-amino-6-ethenyl-2-methylpyridazin-3-one is C=Cc1cc(N)c(=O)n(C)n1.
What is the InChIKey of 4-amino-6-ethenyl-2-methylpyridazin-3-one?
The InChIKey is ZSGQEMXQFBORFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N3O/c1-3-5-4-6(8)7(11)10(2)9-5/h3-4H,1,8H2,2H3.
What are the key properties of 4-amino-6-ethenyl-2-methylpyridazin-3-one?
4-amino-6-ethenyl-2-methylpyridazin-3-one has a molecular weight of 151.17 g/mol, XLogP of 0.01, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-6-ethenyl-2-methylpyridazin-3-one is sourced from PubChem (CID 118928700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).