4-(2-aminopropan-2-yl)-2-methyl-6-pyridin-2-ylpyridazin-3-one

C13H16N4O — CID 82444681

IUPAC4-(2-aminopropan-2-yl)-2-methyl-6-pyridin-2-ylpyridazin-3-one
SMILESCn1nc(-c2ccccn2)cc(C(C)(C)N)c1=O
InChIInChI=1S/C13H16N4O/c1-13(2,14)9-8-11(16-17(3)12(9)18)10-6-4-5-7-15-10/h4-8H,14H2,1-3H3
InChIKeyUXAWSOPBLFCGCC-UHFFFAOYSA-N
MW244.30 g/mol
LogP1.04
Rot. Bonds2

About 4-(2-aminopropan-2-yl)-2-methyl-6-pyridin-2-ylpyridazin-3-one

4-(2-aminopropan-2-yl)-2-methyl-6-pyridin-2-ylpyridazin-3-one (PubChem CID 82444681) has the molecular formula C13H16N4O and a molecular weight of 244.30 g/mol. Its IUPAC name is 4-(2-aminopropan-2-yl)-2-methyl-6-pyridin-2-ylpyridazin-3-one.

Molecular Properties

Compound Name4-(2-aminopropan-2-yl)-2-methyl-6-pyridin-2-ylpyridazin-3-one
PubChem CID82444681
Molecular FormulaC13H16N4O
Molecular Weight244.30 g/mol
Exact Mass244.13
IUPAC Name4-(2-aminopropan-2-yl)-2-methyl-6-pyridin-2-ylpyridazin-3-one
SMILESCn1nc(-c2ccccn2)cc(C(C)(C)N)c1=O
InChIInChI=1S/C13H16N4O/c1-13(2,14)9-8-11(16-17(3)12(9)18)10-6-4-5-7-15-10/h4-8H,14H2,1-3H3
InChIKeyUXAWSOPBLFCGCC-UHFFFAOYSA-N
XLogP1.04
TPSA73.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.30
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-methyl-4-(5-methyl-3-pyridin-2-ylpyrazol-1-yl)butan-2-amine
CID 141089095
2-methyl-4-[5-(methylamino)-1,3,4-thiadiazol-2-yl]-6-pyridin-2-ylpyridazin-3-one
CID 82444689
2-(6-pyridin-2-ylpyrimidin-4-yl)propan-2-amine
CID 83849094
CID 174005801
CID 174005801
3-oxo-2-propyl-6-pyridin-2-ylpyridazine-4-carbothioamide
CID 82446995
N-(1-methyl-3-pyridin-2-ylpyrazol-5-yl)-1,3-thiazole-4-carboxamide
CID 155913126
cobalt;ethane;tris(2-pyridin-2-ylpyridine)
CID 161013986
5-(2-aminoethyl)-4-methyl-2-pyridin-2-ylpyrazolo[1,5-a]pyrimidin-7-one
CID 82271260
2-pyridin-2-ylpyridine;hydroiodide
CID 172833113
2-pyridin-2-ylpyridine;ruthenium(2+)
CID 140596360
tris(2-pyridin-2-ylpyridine);ruthenium
CID 6100643
nickel;tris(2-pyridin-2-ylpyridine)
CID 76737267

Frequently Asked Questions

What is the IUPAC name of 4-(2-aminopropan-2-yl)-2-methyl-6-pyridin-2-ylpyridazin-3-one?
The IUPAC name of 4-(2-aminopropan-2-yl)-2-methyl-6-pyridin-2-ylpyridazin-3-one (CID 82444681) is 4-(2-aminopropan-2-yl)-2-methyl-6-pyridin-2-ylpyridazin-3-one.
What is the SMILES notation for 4-(2-aminopropan-2-yl)-2-methyl-6-pyridin-2-ylpyridazin-3-one?
The canonical SMILES for 4-(2-aminopropan-2-yl)-2-methyl-6-pyridin-2-ylpyridazin-3-one is Cn1nc(-c2ccccn2)cc(C(C)(C)N)c1=O.
What is the InChIKey of 4-(2-aminopropan-2-yl)-2-methyl-6-pyridin-2-ylpyridazin-3-one?
The InChIKey is UXAWSOPBLFCGCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O/c1-13(2,14)9-8-11(16-17(3)12(9)18)10-6-4-5-7-15-10/h4-8H,14H2,1-3H3.
What are the key properties of 4-(2-aminopropan-2-yl)-2-methyl-6-pyridin-2-ylpyridazin-3-one?
4-(2-aminopropan-2-yl)-2-methyl-6-pyridin-2-ylpyridazin-3-one has a molecular weight of 244.30 g/mol, XLogP of 1.04, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-aminopropan-2-yl)-2-methyl-6-pyridin-2-ylpyridazin-3-one is sourced from PubChem (CID 82444681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).