N-[[2-(3,3-dimethylbutyl)-2-azaspiro[3.3]heptan-6-yl]methyl]-6-(1,4-dimethylpyrazol-5-yl)pyridazin-3-amine

C22H34N6 — CID 142611631

IUPACN-[[2-(3,3-dimethylbutyl)-2-azaspiro[3.3]heptan-6-yl]methyl]-6-(1,4-dimethylpyrazol-5-yl)pyridazin-3-amine
SMILESCc1cnn(C)c1-c1ccc(NCC2CC3(C2)CN(CCC(C)(C)C)C3)nn1
InChIInChI=1S/C22H34N6/c1-16-12-24-27(5)20(16)18-6-7-19(26-25-18)23-13-17-10-22(11-17)14-28(15-22)9-8-21(2,3)4/h6-7,12,17H,8-11,13-15H2,1-5H3,(H,23,26)
InChIKeyQTMIGKLYVNNQOA-UHFFFAOYSA-N
MW382.56 g/mol
LogP3.75
Rot. Bonds6

About N-[[2-(3,3-dimethylbutyl)-2-azaspiro[3.3]heptan-6-yl]methyl]-6-(1,4-dimethylpyrazol-5-yl)pyridazin-3-amine

N-[[2-(3,3-dimethylbutyl)-2-azaspiro[3.3]heptan-6-yl]methyl]-6-(1,4-dimethylpyrazol-5-yl)pyridazin-3-amine (PubChem CID 142611631) has the molecular formula C22H34N6 and a molecular weight of 382.56 g/mol. Its IUPAC name is N-[[2-(3,3-dimethylbutyl)-2-azaspiro[3.3]heptan-6-yl]methyl]-6-(1,4-dimethylpyrazol-5-yl)pyridazin-3-amine.

Molecular Properties

Compound NameN-[[2-(3,3-dimethylbutyl)-2-azaspiro[3.3]heptan-6-yl]methyl]-6-(1,4-dimethylpyrazol-5-yl)pyridazin-3-amine
PubChem CID142611631
Molecular FormulaC22H34N6
Molecular Weight382.56 g/mol
Exact Mass382.28
IUPAC NameN-[[2-(3,3-dimethylbutyl)-2-azaspiro[3.3]heptan-6-yl]methyl]-6-(1,4-dimethylpyrazol-5-yl)pyridazin-3-amine
SMILESCc1cnn(C)c1-c1ccc(NCC2CC3(C2)CN(CCC(C)(C)C)C3)nn1
InChIInChI=1S/C22H34N6/c1-16-12-24-27(5)20(16)18-6-7-19(26-25-18)23-13-17-10-22(11-17)14-28(15-22)9-8-21(2,3)4/h6-7,12,17H,8-11,13-15H2,1-5H3,(H,23,26)
InChIKeyQTMIGKLYVNNQOA-UHFFFAOYSA-N
XLogP3.75
TPSA58.87 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.56
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[[2-(3,3-dimethylbutyl)-2-azaspiro[3.3]heptan-6-yl]methyl]-6-(1,4-dimethylpyrazol-5-yl)pyridazin-3-amine?
The IUPAC name of N-[[2-(3,3-dimethylbutyl)-2-azaspiro[3.3]heptan-6-yl]methyl]-6-(1,4-dimethylpyrazol-5-yl)pyridazin-3-amine (CID 142611631) is N-[[2-(3,3-dimethylbutyl)-2-azaspiro[3.3]heptan-6-yl]methyl]-6-(1,4-dimethylpyrazol-5-yl)pyridazin-3-amine.
What is the SMILES notation for N-[[2-(3,3-dimethylbutyl)-2-azaspiro[3.3]heptan-6-yl]methyl]-6-(1,4-dimethylpyrazol-5-yl)pyridazin-3-amine?
The canonical SMILES for N-[[2-(3,3-dimethylbutyl)-2-azaspiro[3.3]heptan-6-yl]methyl]-6-(1,4-dimethylpyrazol-5-yl)pyridazin-3-amine is Cc1cnn(C)c1-c1ccc(NCC2CC3(C2)CN(CCC(C)(C)C)C3)nn1.
What is the InChIKey of N-[[2-(3,3-dimethylbutyl)-2-azaspiro[3.3]heptan-6-yl]methyl]-6-(1,4-dimethylpyrazol-5-yl)pyridazin-3-amine?
The InChIKey is QTMIGKLYVNNQOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H34N6/c1-16-12-24-27(5)20(16)18-6-7-19(26-25-18)23-13-17-10-22(11-17)14-28(15-22)9-8-21(2,3)4/h6-7,12,17H,8-11,13-15H2,1-5H3,(H,23,26).
What are the key properties of N-[[2-(3,3-dimethylbutyl)-2-azaspiro[3.3]heptan-6-yl]methyl]-6-(1,4-dimethylpyrazol-5-yl)pyridazin-3-amine?
N-[[2-(3,3-dimethylbutyl)-2-azaspiro[3.3]heptan-6-yl]methyl]-6-(1,4-dimethylpyrazol-5-yl)pyridazin-3-amine has a molecular weight of 382.56 g/mol, XLogP of 3.75, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(3,3-dimethylbutyl)-2-azaspiro[3.3]heptan-6-yl]methyl]-6-(1,4-dimethylpyrazol-5-yl)pyridazin-3-amine is sourced from PubChem (CID 142611631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).