2-(3-aminoprop-2-enyl)pyridazin-3-one

C7H9N3O — CID 70131040

IUPAC2-(3-aminoprop-2-enyl)pyridazin-3-one
SMILESNC=CCn1ncccc1=O
InChIInChI=1S/C7H9N3O/c8-4-2-6-10-7(11)3-1-5-9-10/h1-5H,6,8H2
InChIKeyYSPAYMIPTXSKEB-UHFFFAOYSA-N
MW151.17 g/mol
LogP-0.28
Rot. Bonds2

About 2-(3-aminoprop-2-enyl)pyridazin-3-one

2-(3-aminoprop-2-enyl)pyridazin-3-one (PubChem CID 70131040) has the molecular formula C7H9N3O and a molecular weight of 151.17 g/mol. Its IUPAC name is 2-(3-aminoprop-2-enyl)pyridazin-3-one.

Molecular Properties

Compound Name2-(3-aminoprop-2-enyl)pyridazin-3-one
PubChem CID70131040
Molecular FormulaC7H9N3O
Molecular Weight151.17 g/mol
Exact Mass151.07
IUPAC Name2-(3-aminoprop-2-enyl)pyridazin-3-one
SMILESNC=CCn1ncccc1=O
InChIInChI=1S/C7H9N3O/c8-4-2-6-10-7(11)3-1-5-9-10/h1-5H,6,8H2
InChIKeyYSPAYMIPTXSKEB-UHFFFAOYSA-N
XLogP-0.28
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.17
LogP ≤ 5-0.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3-aminoprop-2-enyl)pyridazin-3-one?
The IUPAC name of 2-(3-aminoprop-2-enyl)pyridazin-3-one (CID 70131040) is 2-(3-aminoprop-2-enyl)pyridazin-3-one.
What is the SMILES notation for 2-(3-aminoprop-2-enyl)pyridazin-3-one?
The canonical SMILES for 2-(3-aminoprop-2-enyl)pyridazin-3-one is NC=CCn1ncccc1=O.
What is the InChIKey of 2-(3-aminoprop-2-enyl)pyridazin-3-one?
The InChIKey is YSPAYMIPTXSKEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N3O/c8-4-2-6-10-7(11)3-1-5-9-10/h1-5H,6,8H2.
What are the key properties of 2-(3-aminoprop-2-enyl)pyridazin-3-one?
2-(3-aminoprop-2-enyl)pyridazin-3-one has a molecular weight of 151.17 g/mol, XLogP of -0.28, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-aminoprop-2-enyl)pyridazin-3-one is sourced from PubChem (CID 70131040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).