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

C8H13N3O — CID 25181395

IUPAC2-[2-(dimethylamino)ethyl]pyridazin-3-one
SMILESCN(C)CCn1ncccc1=O
InChIInChI=1S/C8H13N3O/c1-10(2)6-7-11-8(12)4-3-5-9-11/h3-5H,6-7H2,1-2H3
InChIKeyPWVUFZOPMDSJNY-UHFFFAOYSA-N
MW167.21 g/mol
LogP-0.20
Rot. Bonds3

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

2-[2-(dimethylamino)ethyl]pyridazin-3-one (PubChem CID 25181395) has the molecular formula C8H13N3O and a molecular weight of 167.21 g/mol. Its IUPAC name is 2-[2-(dimethylamino)ethyl]pyridazin-3-one.

Molecular Properties

Compound Name2-[2-(dimethylamino)ethyl]pyridazin-3-one
PubChem CID25181395
Molecular FormulaC8H13N3O
Molecular Weight167.21 g/mol
Exact Mass167.11
IUPAC Name2-[2-(dimethylamino)ethyl]pyridazin-3-one
SMILESCN(C)CCn1ncccc1=O
InChIInChI=1S/C8H13N3O/c1-10(2)6-7-11-8(12)4-3-5-9-11/h3-5H,6-7H2,1-2H3
InChIKeyPWVUFZOPMDSJNY-UHFFFAOYSA-N
XLogP-0.20
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.21
LogP ≤ 5-0.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(dimethylamino)ethyl]pyridazin-3-one?
The IUPAC name of 2-[2-(dimethylamino)ethyl]pyridazin-3-one (CID 25181395) is 2-[2-(dimethylamino)ethyl]pyridazin-3-one.
What is the SMILES notation for 2-[2-(dimethylamino)ethyl]pyridazin-3-one?
The canonical SMILES for 2-[2-(dimethylamino)ethyl]pyridazin-3-one is CN(C)CCn1ncccc1=O.
What is the InChIKey of 2-[2-(dimethylamino)ethyl]pyridazin-3-one?
The InChIKey is PWVUFZOPMDSJNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O/c1-10(2)6-7-11-8(12)4-3-5-9-11/h3-5H,6-7H2,1-2H3.
What are the key properties of 2-[2-(dimethylamino)ethyl]pyridazin-3-one?
2-[2-(dimethylamino)ethyl]pyridazin-3-one has a molecular weight of 167.21 g/mol, XLogP of -0.20, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(dimethylamino)ethyl]pyridazin-3-one is sourced from PubChem (CID 25181395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).