2-[2-(2-methylbutan-2-ylamino)ethyl]pyridazin-3-one

C11H19N3O — CID 62848919

IUPAC2-[2-(2-methylbutan-2-ylamino)ethyl]pyridazin-3-one
SMILESCCC(C)(C)NCCn1ncccc1=O
InChIInChI=1S/C11H19N3O/c1-4-11(2,3)12-8-9-14-10(15)6-5-7-13-14/h5-7,12H,4,8-9H2,1-3H3
InChIKeyHNLUBPLENZMXTQ-UHFFFAOYSA-N
MW209.29 g/mol
LogP1.02
Rot. Bonds5

About 2-[2-(2-methylbutan-2-ylamino)ethyl]pyridazin-3-one

2-[2-(2-methylbutan-2-ylamino)ethyl]pyridazin-3-one (PubChem CID 62848919) has the molecular formula C11H19N3O and a molecular weight of 209.29 g/mol. Its IUPAC name is 2-[2-(2-methylbutan-2-ylamino)ethyl]pyridazin-3-one.

Molecular Properties

Compound Name2-[2-(2-methylbutan-2-ylamino)ethyl]pyridazin-3-one
PubChem CID62848919
Molecular FormulaC11H19N3O
Molecular Weight209.29 g/mol
Exact Mass209.15
IUPAC Name2-[2-(2-methylbutan-2-ylamino)ethyl]pyridazin-3-one
SMILESCCC(C)(C)NCCn1ncccc1=O
InChIInChI=1S/C11H19N3O/c1-4-11(2,3)12-8-9-14-10(15)6-5-7-13-14/h5-7,12H,4,8-9H2,1-3H3
InChIKeyHNLUBPLENZMXTQ-UHFFFAOYSA-N
XLogP1.02
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-methylbutan-2-ylamino)ethyl]pyridazin-3-one?
The IUPAC name of 2-[2-(2-methylbutan-2-ylamino)ethyl]pyridazin-3-one (CID 62848919) is 2-[2-(2-methylbutan-2-ylamino)ethyl]pyridazin-3-one.
What is the SMILES notation for 2-[2-(2-methylbutan-2-ylamino)ethyl]pyridazin-3-one?
The canonical SMILES for 2-[2-(2-methylbutan-2-ylamino)ethyl]pyridazin-3-one is CCC(C)(C)NCCn1ncccc1=O.
What is the InChIKey of 2-[2-(2-methylbutan-2-ylamino)ethyl]pyridazin-3-one?
The InChIKey is HNLUBPLENZMXTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O/c1-4-11(2,3)12-8-9-14-10(15)6-5-7-13-14/h5-7,12H,4,8-9H2,1-3H3.
What are the key properties of 2-[2-(2-methylbutan-2-ylamino)ethyl]pyridazin-3-one?
2-[2-(2-methylbutan-2-ylamino)ethyl]pyridazin-3-one has a molecular weight of 209.29 g/mol, XLogP of 1.02, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-methylbutan-2-ylamino)ethyl]pyridazin-3-one is sourced from PubChem (CID 62848919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).