6-(11-benzyl-8,11-diazatricyclo[4.3.3.01,6]dodecan-8-yl)pyridazine-3-carbonitrile

C22H25N5 — CID 167848964

IUPAC6-(11-benzyl-8,11-diazatricyclo[4.3.3.01,6]dodecan-8-yl)pyridazine-3-carbonitrile
SMILESN#Cc1ccc(N2CC34CCCCC3(CN(Cc3ccccc3)C4)C2)nn1
InChIInChI=1S/C22H25N5/c23-12-19-8-9-20(25-24-19)27-16-21-10-4-5-11-22(21,17-27)15-26(14-21)13-18-6-2-1-3-7-18/h1-3,6-9H,4-5,10-11,13-17H2
InChIKeyUALXUBHUSQMHET-UHFFFAOYSA-N
MW359.48 g/mol
LogP3.23
Rot. Bonds3

About 6-(11-benzyl-8,11-diazatricyclo[4.3.3.01,6]dodecan-8-yl)pyridazine-3-carbonitrile

6-(11-benzyl-8,11-diazatricyclo[4.3.3.01,6]dodecan-8-yl)pyridazine-3-carbonitrile (PubChem CID 167848964) has the molecular formula C22H25N5 and a molecular weight of 359.48 g/mol. Its IUPAC name is 6-(11-benzyl-8,11-diazatricyclo[4.3.3.01,6]dodecan-8-yl)pyridazine-3-carbonitrile.

Molecular Properties

Compound Name6-(11-benzyl-8,11-diazatricyclo[4.3.3.01,6]dodecan-8-yl)pyridazine-3-carbonitrile
PubChem CID167848964
Molecular FormulaC22H25N5
Molecular Weight359.48 g/mol
Exact Mass359.21
IUPAC Name6-(11-benzyl-8,11-diazatricyclo[4.3.3.01,6]dodecan-8-yl)pyridazine-3-carbonitrile
SMILESN#Cc1ccc(N2CC34CCCCC3(CN(Cc3ccccc3)C4)C2)nn1
InChIInChI=1S/C22H25N5/c23-12-19-8-9-20(25-24-19)27-16-21-10-4-5-11-22(21,17-27)15-26(14-21)13-18-6-2-1-3-7-18/h1-3,6-9H,4-5,10-11,13-17H2
InChIKeyUALXUBHUSQMHET-UHFFFAOYSA-N
XLogP3.23
TPSA56.05 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.48
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 6-(11-benzyl-8,11-diazatricyclo[4.3.3.01,6]dodecan-8-yl)pyridazine-3-carbonitrile with MolForge

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Related Compounds

6-(1-benzyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)pyridazine-3-carbonitrile
CID 133420764
2-(11-benzyl-8,11-diazatricyclo[4.3.3.01,6]dodecan-8-yl)pyridine-3-carboxylic acid
CID 155965630
6-(4-benzyl-2,3,4a,5,7,7a-hexahydropyrrolo[3,4-b][1,4]oxazin-6-yl)pyridazine-3-carbonitrile
CID 133420208
6-(1-oxa-4-azaspiro[5.6]dodecan-4-yl)pyridazine-3-carbonitrile
CID 133420547
11-benzyl-N,N-dimethyl-8,11-diazatricyclo[4.3.3.01,6]dodecane-8-sulfonamide
CID 155962702
6-[3-(3-phenylpropoxy)pyrrolidin-1-yl]pyridazine-3-carbonitrile
CID 133418949
6-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-1-yl]pyridazine-3-carbonitrile
CID 133421971
1-benzyl-N-(6-cyanopyridazin-3-yl)piperidine-4-carboxamide
CID 174579240
6-[4-(4-ethylphenyl)-3,6-dihydro-2H-pyridin-1-yl]pyridazine-3-carbonitrile
CID 133444389
15-benzyl-7-methyl-7,15-diazadispiro[5.1.58.36]hexadecane
CID 12860336
1-(4-benzylpiperazin-1-yl)cyclobutane-1-carbonitrile
CID 126539189
6-[(1-benzylcyclobutyl)methylamino]pyridazine-3-carbonitrile
CID 133419816

Frequently Asked Questions

What is the IUPAC name of 6-(11-benzyl-8,11-diazatricyclo[4.3.3.01,6]dodecan-8-yl)pyridazine-3-carbonitrile?
The IUPAC name of 6-(11-benzyl-8,11-diazatricyclo[4.3.3.01,6]dodecan-8-yl)pyridazine-3-carbonitrile (CID 167848964) is 6-(11-benzyl-8,11-diazatricyclo[4.3.3.01,6]dodecan-8-yl)pyridazine-3-carbonitrile.
What is the SMILES notation for 6-(11-benzyl-8,11-diazatricyclo[4.3.3.01,6]dodecan-8-yl)pyridazine-3-carbonitrile?
The canonical SMILES for 6-(11-benzyl-8,11-diazatricyclo[4.3.3.01,6]dodecan-8-yl)pyridazine-3-carbonitrile is N#Cc1ccc(N2CC34CCCCC3(CN(Cc3ccccc3)C4)C2)nn1.
What is the InChIKey of 6-(11-benzyl-8,11-diazatricyclo[4.3.3.01,6]dodecan-8-yl)pyridazine-3-carbonitrile?
The InChIKey is UALXUBHUSQMHET-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N5/c23-12-19-8-9-20(25-24-19)27-16-21-10-4-5-11-22(21,17-27)15-26(14-21)13-18-6-2-1-3-7-18/h1-3,6-9H,4-5,10-11,13-17H2.
What are the key properties of 6-(11-benzyl-8,11-diazatricyclo[4.3.3.01,6]dodecan-8-yl)pyridazine-3-carbonitrile?
6-(11-benzyl-8,11-diazatricyclo[4.3.3.01,6]dodecan-8-yl)pyridazine-3-carbonitrile has a molecular weight of 359.48 g/mol, XLogP of 3.23, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(11-benzyl-8,11-diazatricyclo[4.3.3.01,6]dodecan-8-yl)pyridazine-3-carbonitrile is sourced from PubChem (CID 167848964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).