2-(3,3-dimethylbutyl)-N-[6-(1,3-dimethylpyrazol-4-yl)pyridazin-3-yl]-2-azaspiro[3.3]heptan-6-amine

C21H32N6 — CID 142611626

IUPAC2-(3,3-dimethylbutyl)-N-[6-(1,3-dimethylpyrazol-4-yl)pyridazin-3-yl]-2-azaspiro[3.3]heptan-6-amine
SMILESCc1nn(C)cc1-c1ccc(NC2CC3(C2)CN(CCC(C)(C)C)C3)nn1
InChIInChI=1S/C21H32N6/c1-15-17(12-26(5)25-15)18-6-7-19(24-23-18)22-16-10-21(11-16)13-27(14-21)9-8-20(2,3)4/h6-7,12,16H,8-11,13-14H2,1-5H3,(H,22,24)
InChIKeyROYASIUNUHIOPK-UHFFFAOYSA-N
MW368.53 g/mol
LogP3.50
Rot. Bonds5

About 2-(3,3-dimethylbutyl)-N-[6-(1,3-dimethylpyrazol-4-yl)pyridazin-3-yl]-2-azaspiro[3.3]heptan-6-amine

2-(3,3-dimethylbutyl)-N-[6-(1,3-dimethylpyrazol-4-yl)pyridazin-3-yl]-2-azaspiro[3.3]heptan-6-amine (PubChem CID 142611626) has the molecular formula C21H32N6 and a molecular weight of 368.53 g/mol. Its IUPAC name is 2-(3,3-dimethylbutyl)-N-[6-(1,3-dimethylpyrazol-4-yl)pyridazin-3-yl]-2-azaspiro[3.3]heptan-6-amine.

Molecular Properties

Compound Name2-(3,3-dimethylbutyl)-N-[6-(1,3-dimethylpyrazol-4-yl)pyridazin-3-yl]-2-azaspiro[3.3]heptan-6-amine
PubChem CID142611626
Molecular FormulaC21H32N6
Molecular Weight368.53 g/mol
Exact Mass368.27
IUPAC Name2-(3,3-dimethylbutyl)-N-[6-(1,3-dimethylpyrazol-4-yl)pyridazin-3-yl]-2-azaspiro[3.3]heptan-6-amine
SMILESCc1nn(C)cc1-c1ccc(NC2CC3(C2)CN(CCC(C)(C)C)C3)nn1
InChIInChI=1S/C21H32N6/c1-15-17(12-26(5)25-15)18-6-7-19(24-23-18)22-16-10-21(11-16)13-27(14-21)9-8-20(2,3)4/h6-7,12,16H,8-11,13-14H2,1-5H3,(H,22,24)
InChIKeyROYASIUNUHIOPK-UHFFFAOYSA-N
XLogP3.50
TPSA58.87 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.53
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-(3,3-dimethylbutyl)-N-[6-(1,3-dimethylpyrazol-4-yl)pyridazin-3-yl]-2-azaspiro[3.3]heptan-6-amine 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 2-(3,3-dimethylbutyl)-N-[6-(1,3-dimethylpyrazol-4-yl)pyridazin-3-yl]-2-azaspiro[3.3]heptan-6-amine?
The IUPAC name of 2-(3,3-dimethylbutyl)-N-[6-(1,3-dimethylpyrazol-4-yl)pyridazin-3-yl]-2-azaspiro[3.3]heptan-6-amine (CID 142611626) is 2-(3,3-dimethylbutyl)-N-[6-(1,3-dimethylpyrazol-4-yl)pyridazin-3-yl]-2-azaspiro[3.3]heptan-6-amine.
What is the SMILES notation for 2-(3,3-dimethylbutyl)-N-[6-(1,3-dimethylpyrazol-4-yl)pyridazin-3-yl]-2-azaspiro[3.3]heptan-6-amine?
The canonical SMILES for 2-(3,3-dimethylbutyl)-N-[6-(1,3-dimethylpyrazol-4-yl)pyridazin-3-yl]-2-azaspiro[3.3]heptan-6-amine is Cc1nn(C)cc1-c1ccc(NC2CC3(C2)CN(CCC(C)(C)C)C3)nn1.
What is the InChIKey of 2-(3,3-dimethylbutyl)-N-[6-(1,3-dimethylpyrazol-4-yl)pyridazin-3-yl]-2-azaspiro[3.3]heptan-6-amine?
The InChIKey is ROYASIUNUHIOPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H32N6/c1-15-17(12-26(5)25-15)18-6-7-19(24-23-18)22-16-10-21(11-16)13-27(14-21)9-8-20(2,3)4/h6-7,12,16H,8-11,13-14H2,1-5H3,(H,22,24).
What are the key properties of 2-(3,3-dimethylbutyl)-N-[6-(1,3-dimethylpyrazol-4-yl)pyridazin-3-yl]-2-azaspiro[3.3]heptan-6-amine?
2-(3,3-dimethylbutyl)-N-[6-(1,3-dimethylpyrazol-4-yl)pyridazin-3-yl]-2-azaspiro[3.3]heptan-6-amine has a molecular weight of 368.53 g/mol, XLogP of 3.50, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,3-dimethylbutyl)-N-[6-(1,3-dimethylpyrazol-4-yl)pyridazin-3-yl]-2-azaspiro[3.3]heptan-6-amine is sourced from PubChem (CID 142611626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).