2-[[1-(2-aminoethyl)cyclopropyl]methyl]pyridazin-3-one

C10H15N3O — CID 65480566

IUPAC2-[[1-(2-aminoethyl)cyclopropyl]methyl]pyridazin-3-one
SMILESNCCC1(Cn2ncccc2=O)CC1
InChIInChI=1S/C10H15N3O/c11-6-5-10(3-4-10)8-13-9(14)2-1-7-12-13/h1-2,7H,3-6,8,11H2
InChIKeyZVOSXCUZTLFWDY-UHFFFAOYSA-N
MW193.25 g/mol
LogP0.37
Rot. Bonds4

About 2-[[1-(2-aminoethyl)cyclopropyl]methyl]pyridazin-3-one

2-[[1-(2-aminoethyl)cyclopropyl]methyl]pyridazin-3-one (PubChem CID 65480566) has the molecular formula C10H15N3O and a molecular weight of 193.25 g/mol. Its IUPAC name is 2-[[1-(2-aminoethyl)cyclopropyl]methyl]pyridazin-3-one.

Molecular Properties

Compound Name2-[[1-(2-aminoethyl)cyclopropyl]methyl]pyridazin-3-one
PubChem CID65480566
Molecular FormulaC10H15N3O
Molecular Weight193.25 g/mol
Exact Mass193.12
IUPAC Name2-[[1-(2-aminoethyl)cyclopropyl]methyl]pyridazin-3-one
SMILESNCCC1(Cn2ncccc2=O)CC1
InChIInChI=1S/C10H15N3O/c11-6-5-10(3-4-10)8-13-9(14)2-1-7-12-13/h1-2,7H,3-6,8,11H2
InChIKeyZVOSXCUZTLFWDY-UHFFFAOYSA-N
XLogP0.37
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 ≤ 50.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[[1-(2-aminoethyl)cyclopropyl]methyl]pyridazin-3-one?
The IUPAC name of 2-[[1-(2-aminoethyl)cyclopropyl]methyl]pyridazin-3-one (CID 65480566) is 2-[[1-(2-aminoethyl)cyclopropyl]methyl]pyridazin-3-one.
What is the SMILES notation for 2-[[1-(2-aminoethyl)cyclopropyl]methyl]pyridazin-3-one?
The canonical SMILES for 2-[[1-(2-aminoethyl)cyclopropyl]methyl]pyridazin-3-one is NCCC1(Cn2ncccc2=O)CC1.
What is the InChIKey of 2-[[1-(2-aminoethyl)cyclopropyl]methyl]pyridazin-3-one?
The InChIKey is ZVOSXCUZTLFWDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O/c11-6-5-10(3-4-10)8-13-9(14)2-1-7-12-13/h1-2,7H,3-6,8,11H2.
What are the key properties of 2-[[1-(2-aminoethyl)cyclopropyl]methyl]pyridazin-3-one?
2-[[1-(2-aminoethyl)cyclopropyl]methyl]pyridazin-3-one has a molecular weight of 193.25 g/mol, XLogP of 0.37, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(2-aminoethyl)cyclopropyl]methyl]pyridazin-3-one is sourced from PubChem (CID 65480566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).