2-[2-(dicyclopropylmethylamino)ethyl]-6-methylpyridazin-3-one

C14H21N3O — CID 62926363

IUPAC2-[2-(dicyclopropylmethylamino)ethyl]-6-methylpyridazin-3-one
SMILESCc1ccc(=O)n(CCNC(C2CC2)C2CC2)n1
InChIInChI=1S/C14H21N3O/c1-10-2-7-13(18)17(16-10)9-8-15-14(11-3-4-11)12-5-6-12/h2,7,11-12,14-15H,3-6,8-9H2,1H3
InChIKeyYXYGVDMFTUETNQ-UHFFFAOYSA-N
MW247.34 g/mol
LogP1.33
Rot. Bonds6

About 2-[2-(dicyclopropylmethylamino)ethyl]-6-methylpyridazin-3-one

2-[2-(dicyclopropylmethylamino)ethyl]-6-methylpyridazin-3-one (PubChem CID 62926363) has the molecular formula C14H21N3O and a molecular weight of 247.34 g/mol. Its IUPAC name is 2-[2-(dicyclopropylmethylamino)ethyl]-6-methylpyridazin-3-one.

Molecular Properties

Compound Name2-[2-(dicyclopropylmethylamino)ethyl]-6-methylpyridazin-3-one
PubChem CID62926363
Molecular FormulaC14H21N3O
Molecular Weight247.34 g/mol
Exact Mass247.17
IUPAC Name2-[2-(dicyclopropylmethylamino)ethyl]-6-methylpyridazin-3-one
SMILESCc1ccc(=O)n(CCNC(C2CC2)C2CC2)n1
InChIInChI=1S/C14H21N3O/c1-10-2-7-13(18)17(16-10)9-8-15-14(11-3-4-11)12-5-6-12/h2,7,11-12,14-15H,3-6,8-9H2,1H3
InChIKeyYXYGVDMFTUETNQ-UHFFFAOYSA-N
XLogP1.33
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[2-(dicyclopropylmethylamino)ethyl]-6-methylpyridazin-3-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[2-(dicyclopropylmethylamino)ethyl]-6-methylpyridazin-3-one?
The IUPAC name of 2-[2-(dicyclopropylmethylamino)ethyl]-6-methylpyridazin-3-one (CID 62926363) is 2-[2-(dicyclopropylmethylamino)ethyl]-6-methylpyridazin-3-one.
What is the SMILES notation for 2-[2-(dicyclopropylmethylamino)ethyl]-6-methylpyridazin-3-one?
The canonical SMILES for 2-[2-(dicyclopropylmethylamino)ethyl]-6-methylpyridazin-3-one is Cc1ccc(=O)n(CCNC(C2CC2)C2CC2)n1.
What is the InChIKey of 2-[2-(dicyclopropylmethylamino)ethyl]-6-methylpyridazin-3-one?
The InChIKey is YXYGVDMFTUETNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O/c1-10-2-7-13(18)17(16-10)9-8-15-14(11-3-4-11)12-5-6-12/h2,7,11-12,14-15H,3-6,8-9H2,1H3.
What are the key properties of 2-[2-(dicyclopropylmethylamino)ethyl]-6-methylpyridazin-3-one?
2-[2-(dicyclopropylmethylamino)ethyl]-6-methylpyridazin-3-one has a molecular weight of 247.34 g/mol, XLogP of 1.33, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(dicyclopropylmethylamino)ethyl]-6-methylpyridazin-3-one is sourced from PubChem (CID 62926363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).