5-amino-4-cyclopropyl-1H-pyridazin-6-one

C7H9N3O — CID 117127449

IUPAC5-amino-4-cyclopropyl-1H-pyridazin-6-one
SMILESNc1c(C2CC2)cn[nH]c1=O
InChIInChI=1S/C7H9N3O/c8-6-5(4-1-2-4)3-9-10-7(6)11/h3-4H,1-2H2,(H2,8,9)(H,10,11)
InChIKeyOTXHXJWYCZVTMG-UHFFFAOYSA-N
MW151.17 g/mol
LogP0.23
Rot. Bonds1

About 5-amino-4-cyclopropyl-1H-pyridazin-6-one

5-amino-4-cyclopropyl-1H-pyridazin-6-one (PubChem CID 117127449) has the molecular formula C7H9N3O and a molecular weight of 151.17 g/mol. Its IUPAC name is 5-amino-4-cyclopropyl-1H-pyridazin-6-one.

Molecular Properties

Compound Name5-amino-4-cyclopropyl-1H-pyridazin-6-one
PubChem CID117127449
Molecular FormulaC7H9N3O
Molecular Weight151.17 g/mol
Exact Mass151.07
IUPAC Name5-amino-4-cyclopropyl-1H-pyridazin-6-one
SMILESNc1c(C2CC2)cn[nH]c1=O
InChIInChI=1S/C7H9N3O/c8-6-5(4-1-2-4)3-9-10-7(6)11/h3-4H,1-2H2,(H2,8,9)(H,10,11)
InChIKeyOTXHXJWYCZVTMG-UHFFFAOYSA-N
XLogP0.23
TPSA71.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.17
LogP ≤ 50.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-amino-4-cyclopropyl-1H-pyridazin-6-one?
The IUPAC name of 5-amino-4-cyclopropyl-1H-pyridazin-6-one (CID 117127449) is 5-amino-4-cyclopropyl-1H-pyridazin-6-one.
What is the SMILES notation for 5-amino-4-cyclopropyl-1H-pyridazin-6-one?
The canonical SMILES for 5-amino-4-cyclopropyl-1H-pyridazin-6-one is Nc1c(C2CC2)cn[nH]c1=O.
What is the InChIKey of 5-amino-4-cyclopropyl-1H-pyridazin-6-one?
The InChIKey is OTXHXJWYCZVTMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N3O/c8-6-5(4-1-2-4)3-9-10-7(6)11/h3-4H,1-2H2,(H2,8,9)(H,10,11).
What are the key properties of 5-amino-4-cyclopropyl-1H-pyridazin-6-one?
5-amino-4-cyclopropyl-1H-pyridazin-6-one has a molecular weight of 151.17 g/mol, XLogP of 0.23, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-4-cyclopropyl-1H-pyridazin-6-one is sourced from PubChem (CID 117127449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).