5-amino-4-(2,2-dimethylpropyl)-1H-pyridazin-6-one

C9H15N3O — CID 117127393

IUPAC5-amino-4-(2,2-dimethylpropyl)-1H-pyridazin-6-one
SMILESCC(C)(C)Cc1cn[nH]c(=O)c1N
InChIInChI=1S/C9H15N3O/c1-9(2,3)4-6-5-11-12-8(13)7(6)10/h5H,4H2,1-3H3,(H2,10,11)(H,12,13)
InChIKeyZAOMZVOBCHAUIX-UHFFFAOYSA-N
MW181.24 g/mol
LogP0.94
Rot. Bonds1

About 5-amino-4-(2,2-dimethylpropyl)-1H-pyridazin-6-one

5-amino-4-(2,2-dimethylpropyl)-1H-pyridazin-6-one (PubChem CID 117127393) has the molecular formula C9H15N3O and a molecular weight of 181.24 g/mol. Its IUPAC name is 5-amino-4-(2,2-dimethylpropyl)-1H-pyridazin-6-one.

Molecular Properties

Compound Name5-amino-4-(2,2-dimethylpropyl)-1H-pyridazin-6-one
PubChem CID117127393
Molecular FormulaC9H15N3O
Molecular Weight181.24 g/mol
Exact Mass181.12
IUPAC Name5-amino-4-(2,2-dimethylpropyl)-1H-pyridazin-6-one
SMILESCC(C)(C)Cc1cn[nH]c(=O)c1N
InChIInChI=1S/C9H15N3O/c1-9(2,3)4-6-5-11-12-8(13)7(6)10/h5H,4H2,1-3H3,(H2,10,11)(H,12,13)
InChIKeyZAOMZVOBCHAUIX-UHFFFAOYSA-N
XLogP0.94
TPSA71.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.24
LogP ≤ 50.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 5-amino-4-(2,2-dimethylpropyl)-1H-pyridazin-6-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-amino-4-(2,2-dimethylpropyl)-1H-pyridazin-6-one?
The IUPAC name of 5-amino-4-(2,2-dimethylpropyl)-1H-pyridazin-6-one (CID 117127393) is 5-amino-4-(2,2-dimethylpropyl)-1H-pyridazin-6-one.
What is the SMILES notation for 5-amino-4-(2,2-dimethylpropyl)-1H-pyridazin-6-one?
The canonical SMILES for 5-amino-4-(2,2-dimethylpropyl)-1H-pyridazin-6-one is CC(C)(C)Cc1cn[nH]c(=O)c1N.
What is the InChIKey of 5-amino-4-(2,2-dimethylpropyl)-1H-pyridazin-6-one?
The InChIKey is ZAOMZVOBCHAUIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O/c1-9(2,3)4-6-5-11-12-8(13)7(6)10/h5H,4H2,1-3H3,(H2,10,11)(H,12,13).
What are the key properties of 5-amino-4-(2,2-dimethylpropyl)-1H-pyridazin-6-one?
5-amino-4-(2,2-dimethylpropyl)-1H-pyridazin-6-one has a molecular weight of 181.24 g/mol, XLogP of 0.94, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-4-(2,2-dimethylpropyl)-1H-pyridazin-6-one is sourced from PubChem (CID 117127393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).