2-methyl-4-(methylaminomethyl)-6-propan-2-ylpyridazin-3-one

C10H17N3O — CID 82443119

IUPAC2-methyl-4-(methylaminomethyl)-6-propan-2-ylpyridazin-3-one
SMILESCNCc1cc(C(C)C)nn(C)c1=O
InChIInChI=1S/C10H17N3O/c1-7(2)9-5-8(6-11-3)10(14)13(4)12-9/h5,7,11H,6H2,1-4H3
InChIKeyUFUWGNOFHLZMHA-UHFFFAOYSA-N
MW195.27 g/mol
LogP0.62
Rot. Bonds3

About 2-methyl-4-(methylaminomethyl)-6-propan-2-ylpyridazin-3-one

2-methyl-4-(methylaminomethyl)-6-propan-2-ylpyridazin-3-one (PubChem CID 82443119) has the molecular formula C10H17N3O and a molecular weight of 195.27 g/mol. Its IUPAC name is 2-methyl-4-(methylaminomethyl)-6-propan-2-ylpyridazin-3-one.

Molecular Properties

Compound Name2-methyl-4-(methylaminomethyl)-6-propan-2-ylpyridazin-3-one
PubChem CID82443119
Molecular FormulaC10H17N3O
Molecular Weight195.27 g/mol
Exact Mass195.14
IUPAC Name2-methyl-4-(methylaminomethyl)-6-propan-2-ylpyridazin-3-one
SMILESCNCc1cc(C(C)C)nn(C)c1=O
InChIInChI=1S/C10H17N3O/c1-7(2)9-5-8(6-11-3)10(14)13(4)12-9/h5,7,11H,6H2,1-4H3
InChIKeyUFUWGNOFHLZMHA-UHFFFAOYSA-N
XLogP0.62
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.27
LogP ≤ 50.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-(methylaminomethyl)-6-propan-2-ylpyridazin-3-one?
The IUPAC name of 2-methyl-4-(methylaminomethyl)-6-propan-2-ylpyridazin-3-one (CID 82443119) is 2-methyl-4-(methylaminomethyl)-6-propan-2-ylpyridazin-3-one.
What is the SMILES notation for 2-methyl-4-(methylaminomethyl)-6-propan-2-ylpyridazin-3-one?
The canonical SMILES for 2-methyl-4-(methylaminomethyl)-6-propan-2-ylpyridazin-3-one is CNCc1cc(C(C)C)nn(C)c1=O.
What is the InChIKey of 2-methyl-4-(methylaminomethyl)-6-propan-2-ylpyridazin-3-one?
The InChIKey is UFUWGNOFHLZMHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O/c1-7(2)9-5-8(6-11-3)10(14)13(4)12-9/h5,7,11H,6H2,1-4H3.
What are the key properties of 2-methyl-4-(methylaminomethyl)-6-propan-2-ylpyridazin-3-one?
2-methyl-4-(methylaminomethyl)-6-propan-2-ylpyridazin-3-one has a molecular weight of 195.27 g/mol, XLogP of 0.62, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-(methylaminomethyl)-6-propan-2-ylpyridazin-3-one is sourced from PubChem (CID 82443119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).