2-(4-amino-3,3-dimethylbutyl)-5-methylpyridazin-3-one

C11H19N3O — CID 106548356

IUPAC2-(4-amino-3,3-dimethylbutyl)-5-methylpyridazin-3-one
SMILESCc1cnn(CCC(C)(C)CN)c(=O)c1
InChIInChI=1S/C11H19N3O/c1-9-6-10(15)14(13-7-9)5-4-11(2,3)8-12/h6-7H,4-5,8,12H2,1-3H3
InChIKeyPIGFFVOQHFUGBX-UHFFFAOYSA-N
MW209.29 g/mol
LogP0.93
Rot. Bonds4

About 2-(4-amino-3,3-dimethylbutyl)-5-methylpyridazin-3-one

2-(4-amino-3,3-dimethylbutyl)-5-methylpyridazin-3-one (PubChem CID 106548356) has the molecular formula C11H19N3O and a molecular weight of 209.29 g/mol. Its IUPAC name is 2-(4-amino-3,3-dimethylbutyl)-5-methylpyridazin-3-one.

Molecular Properties

Compound Name2-(4-amino-3,3-dimethylbutyl)-5-methylpyridazin-3-one
PubChem CID106548356
Molecular FormulaC11H19N3O
Molecular Weight209.29 g/mol
Exact Mass209.15
IUPAC Name2-(4-amino-3,3-dimethylbutyl)-5-methylpyridazin-3-one
SMILESCc1cnn(CCC(C)(C)CN)c(=O)c1
InChIInChI=1S/C11H19N3O/c1-9-6-10(15)14(13-7-9)5-4-11(2,3)8-12/h6-7H,4-5,8,12H2,1-3H3
InChIKeyPIGFFVOQHFUGBX-UHFFFAOYSA-N
XLogP0.93
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-Fluorobutyl)-5-methylpyridazin-3-one
CID 131183205
5-(Aminomethyl)-2-ethylpyridazin-3(2H)-one
CID 21066412
2-(2-Amino-3,3-dimethylbutyl)pyridazin-3-one
CID 62850133
2-[2-(3,3-Dimethylbutylamino)ethyl]pyridazin-3-one
CID 62850873
2-(4-Amino-3,3-dimethylbutyl)pyridazin-3-one
CID 65247343
2-(5-Amino-4,4-dimethylpentyl)pyridazin-3-one
CID 65255949
5-(aminomethyl)-2-methylpyridazin-3(2H)-one
CID 84648409
5-Amino-2-(3,3-dimethylbutyl)pyridazin-3-one
CID 103218292
2-(3,3-Dimethylbutyl)-5-(methylamino)pyridazin-3-one
CID 103218576
2-(3,3-Dimethylbutyl)-5-(ethylamino)pyridazin-3-one
CID 103219009
2-(3,3-Dimethylbutyl)-5-(propan-2-ylamino)pyridazin-3-one
CID 103219447
2-(3,3-Dimethylbutyl)-5-(propylamino)pyridazin-3-one
CID 103220195

Frequently Asked Questions

What is the IUPAC name of 2-(4-amino-3,3-dimethylbutyl)-5-methylpyridazin-3-one?
The IUPAC name of 2-(4-amino-3,3-dimethylbutyl)-5-methylpyridazin-3-one (CID 106548356) is 2-(4-amino-3,3-dimethylbutyl)-5-methylpyridazin-3-one.
What is the SMILES notation for 2-(4-amino-3,3-dimethylbutyl)-5-methylpyridazin-3-one?
The canonical SMILES for 2-(4-amino-3,3-dimethylbutyl)-5-methylpyridazin-3-one is Cc1cnn(CCC(C)(C)CN)c(=O)c1.
What is the InChIKey of 2-(4-amino-3,3-dimethylbutyl)-5-methylpyridazin-3-one?
The InChIKey is PIGFFVOQHFUGBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O/c1-9-6-10(15)14(13-7-9)5-4-11(2,3)8-12/h6-7H,4-5,8,12H2,1-3H3.
What are the key properties of 2-(4-amino-3,3-dimethylbutyl)-5-methylpyridazin-3-one?
2-(4-amino-3,3-dimethylbutyl)-5-methylpyridazin-3-one has a molecular weight of 209.29 g/mol, XLogP of 0.93, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-amino-3,3-dimethylbutyl)-5-methylpyridazin-3-one is sourced from PubChem (CID 106548356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).