6-[2,2-dimethylpropyl(methyl)amino]-N-methylpyridazine-3-carboxamide

C12H20N4O — CID 133343638

IUPAC6-[2,2-dimethylpropyl(methyl)amino]-N-methylpyridazine-3-carboxamide
SMILESCNC(=O)c1ccc(N(C)CC(C)(C)C)nn1
InChIInChI=1S/C12H20N4O/c1-12(2,3)8-16(5)10-7-6-9(14-15-10)11(17)13-4/h6-7H,8H2,1-5H3,(H,13,17)
InChIKeyYADJIIOWBFMWFU-UHFFFAOYSA-N
MW236.32 g/mol
LogP1.32
Rot. Bonds3

About 6-[2,2-dimethylpropyl(methyl)amino]-N-methylpyridazine-3-carboxamide

6-[2,2-dimethylpropyl(methyl)amino]-N-methylpyridazine-3-carboxamide (PubChem CID 133343638) has the molecular formula C12H20N4O and a molecular weight of 236.32 g/mol. Its IUPAC name is 6-[2,2-dimethylpropyl(methyl)amino]-N-methylpyridazine-3-carboxamide.

Molecular Properties

Compound Name6-[2,2-dimethylpropyl(methyl)amino]-N-methylpyridazine-3-carboxamide
PubChem CID133343638
Molecular FormulaC12H20N4O
Molecular Weight236.32 g/mol
Exact Mass236.16
IUPAC Name6-[2,2-dimethylpropyl(methyl)amino]-N-methylpyridazine-3-carboxamide
SMILESCNC(=O)c1ccc(N(C)CC(C)(C)C)nn1
InChIInChI=1S/C12H20N4O/c1-12(2,3)8-16(5)10-7-6-9(14-15-10)11(17)13-4/h6-7H,8H2,1-5H3,(H,13,17)
InChIKeyYADJIIOWBFMWFU-UHFFFAOYSA-N
XLogP1.32
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.32
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-[2,2-dimethylpropyl(methyl)amino]-N-methylpyridazine-3-carboxamide?
The IUPAC name of 6-[2,2-dimethylpropyl(methyl)amino]-N-methylpyridazine-3-carboxamide (CID 133343638) is 6-[2,2-dimethylpropyl(methyl)amino]-N-methylpyridazine-3-carboxamide.
What is the SMILES notation for 6-[2,2-dimethylpropyl(methyl)amino]-N-methylpyridazine-3-carboxamide?
The canonical SMILES for 6-[2,2-dimethylpropyl(methyl)amino]-N-methylpyridazine-3-carboxamide is CNC(=O)c1ccc(N(C)CC(C)(C)C)nn1.
What is the InChIKey of 6-[2,2-dimethylpropyl(methyl)amino]-N-methylpyridazine-3-carboxamide?
The InChIKey is YADJIIOWBFMWFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O/c1-12(2,3)8-16(5)10-7-6-9(14-15-10)11(17)13-4/h6-7H,8H2,1-5H3,(H,13,17).
What are the key properties of 6-[2,2-dimethylpropyl(methyl)amino]-N-methylpyridazine-3-carboxamide?
6-[2,2-dimethylpropyl(methyl)amino]-N-methylpyridazine-3-carboxamide has a molecular weight of 236.32 g/mol, XLogP of 1.32, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2,2-dimethylpropyl(methyl)amino]-N-methylpyridazine-3-carboxamide is sourced from PubChem (CID 133343638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).