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

C7H10ClN3O — CID 10773947

IUPAC2-(3-aminopropyl)-6-chloropyridazin-3-one
SMILESNCCCn1nc(Cl)ccc1=O
InChIInChI=1S/C7H10ClN3O/c8-6-2-3-7(12)11(10-6)5-1-4-9/h2-3H,1,4-5,9H2
InChIKeyKFNMREZWWOCWRM-UHFFFAOYSA-N
MW187.63 g/mol
LogP0.25
Rot. Bonds3

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

2-(3-aminopropyl)-6-chloropyridazin-3-one (PubChem CID 10773947) has the molecular formula C7H10ClN3O and a molecular weight of 187.63 g/mol. Its IUPAC name is 2-(3-aminopropyl)-6-chloropyridazin-3-one.

Molecular Properties

Compound Name2-(3-aminopropyl)-6-chloropyridazin-3-one
PubChem CID10773947
Molecular FormulaC7H10ClN3O
Molecular Weight187.63 g/mol
Exact Mass187.05
IUPAC Name2-(3-aminopropyl)-6-chloropyridazin-3-one
SMILESNCCCn1nc(Cl)ccc1=O
InChIInChI=1S/C7H10ClN3O/c8-6-2-3-7(12)11(10-6)5-1-4-9/h2-3H,1,4-5,9H2
InChIKeyKFNMREZWWOCWRM-UHFFFAOYSA-N
XLogP0.25
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.63
LogP ≤ 50.25
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-chloropyridazin-3-one?
The IUPAC name of 2-(3-aminopropyl)-6-chloropyridazin-3-one (CID 10773947) is 2-(3-aminopropyl)-6-chloropyridazin-3-one.
What is the SMILES notation for 2-(3-aminopropyl)-6-chloropyridazin-3-one?
The canonical SMILES for 2-(3-aminopropyl)-6-chloropyridazin-3-one is NCCCn1nc(Cl)ccc1=O.
What is the InChIKey of 2-(3-aminopropyl)-6-chloropyridazin-3-one?
The InChIKey is KFNMREZWWOCWRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10ClN3O/c8-6-2-3-7(12)11(10-6)5-1-4-9/h2-3H,1,4-5,9H2.
What are the key properties of 2-(3-aminopropyl)-6-chloropyridazin-3-one?
2-(3-aminopropyl)-6-chloropyridazin-3-one has a molecular weight of 187.63 g/mol, XLogP of 0.25, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-aminopropyl)-6-chloropyridazin-3-one is sourced from PubChem (CID 10773947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).