2-(3-aminopropyl)-6-cyclopropylpyridazin-3-one

C10H15N3O — CID 122239449

IUPAC2-(3-aminopropyl)-6-cyclopropylpyridazin-3-one
SMILESNCCCn1nc(C2CC2)ccc1=O
InChIInChI=1S/C10H15N3O/c11-6-1-7-13-10(14)5-4-9(12-13)8-2-3-8/h4-5,8H,1-3,6-7,11H2
InChIKeyAESPBGIUVGGTQI-UHFFFAOYSA-N
MW193.25 g/mol
LogP0.47
Rot. Bonds4

About 2-(3-aminopropyl)-6-cyclopropylpyridazin-3-one

2-(3-aminopropyl)-6-cyclopropylpyridazin-3-one (PubChem CID 122239449) has the molecular formula C10H15N3O and a molecular weight of 193.25 g/mol. Its IUPAC name is 2-(3-aminopropyl)-6-cyclopropylpyridazin-3-one.

Molecular Properties

Compound Name2-(3-aminopropyl)-6-cyclopropylpyridazin-3-one
PubChem CID122239449
Molecular FormulaC10H15N3O
Molecular Weight193.25 g/mol
Exact Mass193.12
IUPAC Name2-(3-aminopropyl)-6-cyclopropylpyridazin-3-one
SMILESNCCCn1nc(C2CC2)ccc1=O
InChIInChI=1S/C10H15N3O/c11-6-1-7-13-10(14)5-4-9(12-13)8-2-3-8/h4-5,8H,1-3,6-7,11H2
InChIKeyAESPBGIUVGGTQI-UHFFFAOYSA-N
XLogP0.47
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.25
LogP ≤ 50.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3-aminopropyl)-6-cyclopropylpyridazin-3-one?
The IUPAC name of 2-(3-aminopropyl)-6-cyclopropylpyridazin-3-one (CID 122239449) is 2-(3-aminopropyl)-6-cyclopropylpyridazin-3-one.
What is the SMILES notation for 2-(3-aminopropyl)-6-cyclopropylpyridazin-3-one?
The canonical SMILES for 2-(3-aminopropyl)-6-cyclopropylpyridazin-3-one is NCCCn1nc(C2CC2)ccc1=O.
What is the InChIKey of 2-(3-aminopropyl)-6-cyclopropylpyridazin-3-one?
The InChIKey is AESPBGIUVGGTQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O/c11-6-1-7-13-10(14)5-4-9(12-13)8-2-3-8/h4-5,8H,1-3,6-7,11H2.
What are the key properties of 2-(3-aminopropyl)-6-cyclopropylpyridazin-3-one?
2-(3-aminopropyl)-6-cyclopropylpyridazin-3-one has a molecular weight of 193.25 g/mol, XLogP of 0.47, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-aminopropyl)-6-cyclopropylpyridazin-3-one is sourced from PubChem (CID 122239449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).