2-[2-(methylamino)ethyl]pyridazin-3-one

C7H11N3O — CID 62849066

IUPAC2-[2-(methylamino)ethyl]pyridazin-3-one
SMILESCNCCn1ncccc1=O
InChIInChI=1S/C7H11N3O/c1-8-5-6-10-7(11)3-2-4-9-10/h2-4,8H,5-6H2,1H3
InChIKeyYVQHZJCKOROFGD-UHFFFAOYSA-N
MW153.19 g/mol
LogP-0.54
Rot. Bonds3

About 2-[2-(methylamino)ethyl]pyridazin-3-one

2-[2-(methylamino)ethyl]pyridazin-3-one (PubChem CID 62849066) has the molecular formula C7H11N3O and a molecular weight of 153.19 g/mol. Its IUPAC name is 2-[2-(methylamino)ethyl]pyridazin-3-one.

Molecular Properties

Compound Name2-[2-(methylamino)ethyl]pyridazin-3-one
PubChem CID62849066
Molecular FormulaC7H11N3O
Molecular Weight153.19 g/mol
Exact Mass153.09
IUPAC Name2-[2-(methylamino)ethyl]pyridazin-3-one
SMILESCNCCn1ncccc1=O
InChIInChI=1S/C7H11N3O/c1-8-5-6-10-7(11)3-2-4-9-10/h2-4,8H,5-6H2,1H3
InChIKeyYVQHZJCKOROFGD-UHFFFAOYSA-N
XLogP-0.54
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.19
LogP ≤ 5-0.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(methylamino)ethyl]pyridazin-3-one?
The IUPAC name of 2-[2-(methylamino)ethyl]pyridazin-3-one (CID 62849066) is 2-[2-(methylamino)ethyl]pyridazin-3-one.
What is the SMILES notation for 2-[2-(methylamino)ethyl]pyridazin-3-one?
The canonical SMILES for 2-[2-(methylamino)ethyl]pyridazin-3-one is CNCCn1ncccc1=O.
What is the InChIKey of 2-[2-(methylamino)ethyl]pyridazin-3-one?
The InChIKey is YVQHZJCKOROFGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3O/c1-8-5-6-10-7(11)3-2-4-9-10/h2-4,8H,5-6H2,1H3.
What are the key properties of 2-[2-(methylamino)ethyl]pyridazin-3-one?
2-[2-(methylamino)ethyl]pyridazin-3-one has a molecular weight of 153.19 g/mol, XLogP of -0.54, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(methylamino)ethyl]pyridazin-3-one is sourced from PubChem (CID 62849066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).