4-(2-aminopropan-2-yl)-6-methyl-2-(2-methylpropyl)pyridazin-3-one

C12H21N3O — CID 82442880

IUPAC4-(2-aminopropan-2-yl)-6-methyl-2-(2-methylpropyl)pyridazin-3-one
SMILESCc1cc(C(C)(C)N)c(=O)n(CC(C)C)n1
InChIInChI=1S/C12H21N3O/c1-8(2)7-15-11(16)10(12(4,5)13)6-9(3)14-15/h6,8H,7,13H2,1-5H3
InChIKeyYQJDNMSXEVCBTA-UHFFFAOYSA-N
MW223.32 g/mol
LogP1.40
Rot. Bonds3

About 4-(2-aminopropan-2-yl)-6-methyl-2-(2-methylpropyl)pyridazin-3-one

4-(2-aminopropan-2-yl)-6-methyl-2-(2-methylpropyl)pyridazin-3-one (PubChem CID 82442880) has the molecular formula C12H21N3O and a molecular weight of 223.32 g/mol. Its IUPAC name is 4-(2-aminopropan-2-yl)-6-methyl-2-(2-methylpropyl)pyridazin-3-one.

Molecular Properties

Compound Name4-(2-aminopropan-2-yl)-6-methyl-2-(2-methylpropyl)pyridazin-3-one
PubChem CID82442880
Molecular FormulaC12H21N3O
Molecular Weight223.32 g/mol
Exact Mass223.17
IUPAC Name4-(2-aminopropan-2-yl)-6-methyl-2-(2-methylpropyl)pyridazin-3-one
SMILESCc1cc(C(C)(C)N)c(=O)n(CC(C)C)n1
InChIInChI=1S/C12H21N3O/c1-8(2)7-15-11(16)10(12(4,5)13)6-9(3)14-15/h6,8H,7,13H2,1-5H3
InChIKeyYQJDNMSXEVCBTA-UHFFFAOYSA-N
XLogP1.40
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(2-aminopropan-2-yl)-2-(2-methylpropyl)-6-propan-2-ylpyridazin-3-one
CID 82443362
6-methyl-4-(methylaminomethyl)-2-(2-methylpropyl)pyridazin-3-one
CID 82442860
4-[5-(ethylamino)-1,3,4-thiadiazol-2-yl]-6-methyl-2-(2-methylpropyl)pyridazin-3-one
CID 82442898
5-(difluoromethyl)-3-methyl-1-(2-methylpropyl)pyrazole
CID 165138413
6-methyl-2-(2-methylpropyl)-4-(propylaminomethyl)pyridazin-3-one
CID 82442863
4-(bromomethyl)-2-(2-methylpropyl)-6-propan-2-ylpyridazin-3-one
CID 82443355
6-(4-fluorophenyl)-4-(2-hydroxypropan-2-yl)-2-(2-methylpropyl)pyridazin-3-one
CID 82447358
4-(1-aminoethyl)-2-ethyl-6-methylpyridazin-3-one
CID 82442775
1-[5-methyl-2-(2-methylpropyl)pyrazol-3-yl]propan-1-ol
CID 67376588
2-[6-tert-butyl-2-(2-methylpropyl)-3-oxopyridazin-4-yl]acetyl chloride
CID 82443676
5-amino-2-(2-methylpropyl)pyridazin-3-one
CID 103218168
6-tert-butyl-4-(butylaminomethyl)-2-(2-methylpropyl)pyridazin-3-one
CID 82443653

Frequently Asked Questions

What is the IUPAC name of 4-(2-aminopropan-2-yl)-6-methyl-2-(2-methylpropyl)pyridazin-3-one?
The IUPAC name of 4-(2-aminopropan-2-yl)-6-methyl-2-(2-methylpropyl)pyridazin-3-one (CID 82442880) is 4-(2-aminopropan-2-yl)-6-methyl-2-(2-methylpropyl)pyridazin-3-one.
What is the SMILES notation for 4-(2-aminopropan-2-yl)-6-methyl-2-(2-methylpropyl)pyridazin-3-one?
The canonical SMILES for 4-(2-aminopropan-2-yl)-6-methyl-2-(2-methylpropyl)pyridazin-3-one is Cc1cc(C(C)(C)N)c(=O)n(CC(C)C)n1.
What is the InChIKey of 4-(2-aminopropan-2-yl)-6-methyl-2-(2-methylpropyl)pyridazin-3-one?
The InChIKey is YQJDNMSXEVCBTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O/c1-8(2)7-15-11(16)10(12(4,5)13)6-9(3)14-15/h6,8H,7,13H2,1-5H3.
What are the key properties of 4-(2-aminopropan-2-yl)-6-methyl-2-(2-methylpropyl)pyridazin-3-one?
4-(2-aminopropan-2-yl)-6-methyl-2-(2-methylpropyl)pyridazin-3-one has a molecular weight of 223.32 g/mol, XLogP of 1.40, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-aminopropan-2-yl)-6-methyl-2-(2-methylpropyl)pyridazin-3-one is sourced from PubChem (CID 82442880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).