2-pyridazin-3-yl-2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetonitrile

C16H15N3 — CID 116833129

IUPAC2-pyridazin-3-yl-2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetonitrile
SMILESN#CC(c1ccc2c(c1)CCCC2)c1cccnn1
InChIInChI=1S/C16H15N3/c17-11-15(16-6-3-9-18-19-16)14-8-7-12-4-1-2-5-13(12)10-14/h3,6-10,15H,1-2,4-5H2
InChIKeyJUKJIZXUOMJXHB-UHFFFAOYSA-N
MW249.32 g/mol
LogP3.01
Rot. Bonds2

About 2-pyridazin-3-yl-2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetonitrile

2-pyridazin-3-yl-2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetonitrile (PubChem CID 116833129) has the molecular formula C16H15N3 and a molecular weight of 249.32 g/mol. Its IUPAC name is 2-pyridazin-3-yl-2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetonitrile.

Molecular Properties

Compound Name2-pyridazin-3-yl-2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetonitrile
PubChem CID116833129
Molecular FormulaC16H15N3
Molecular Weight249.32 g/mol
Exact Mass249.13
IUPAC Name2-pyridazin-3-yl-2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetonitrile
SMILESN#CC(c1ccc2c(c1)CCCC2)c1cccnn1
InChIInChI=1S/C16H15N3/c17-11-15(16-6-3-9-18-19-16)14-8-7-12-4-1-2-5-13(12)10-14/h3,6-10,15H,1-2,4-5H2
InChIKeyJUKJIZXUOMJXHB-UHFFFAOYSA-N
XLogP3.01
TPSA49.57 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.32
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3,4-dichlorophenyl)-2-pyridazin-3-ylacetonitrile
CID 12887947
2-(3,4-difluorophenyl)-2-pyridazin-3-ylacetonitrile
CID 116833163
2-pyrimidin-4-yl-2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetonitrile
CID 116833250
2-(2,3-dihydro-1H-inden-5-yl)-2-pyrimidin-2-ylacetonitrile
CID 116833439
2-(1-methylbenzimidazol-5-yl)-2-pyridazin-3-ylacetonitrile
CID 116833204
2-(1H-pyrrol-3-yl)-2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetonitrile
CID 116834286
2-(4-methoxy-3,5-dimethylphenyl)-2-pyridazin-3-ylacetonitrile
CID 116833228
2-(5-bromo-2-methylphenyl)-2-pyridazin-3-ylacetonitrile
CID 116833214
2-(5-bromo-2-pyridinyl)-2-(2,3,4,5-tetrahydro-1H-3-benzazepin-7-yl)acetonitrile
CID 69340143
3-chloro-2-pyridazin-3-ylpropanenitrile
CID 63216468
3-amino-3-(5,6,7,8-tetrahydronaphthalen-2-yl)propanenitrile
CID 116851211
2-(4-methoxy-2,3,6-trimethylphenyl)-2-pyridazin-3-ylacetonitrile
CID 116833233

Frequently Asked Questions

What is the IUPAC name of 2-pyridazin-3-yl-2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetonitrile?
The IUPAC name of 2-pyridazin-3-yl-2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetonitrile (CID 116833129) is 2-pyridazin-3-yl-2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetonitrile.
What is the SMILES notation for 2-pyridazin-3-yl-2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetonitrile?
The canonical SMILES for 2-pyridazin-3-yl-2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetonitrile is N#CC(c1ccc2c(c1)CCCC2)c1cccnn1.
What is the InChIKey of 2-pyridazin-3-yl-2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetonitrile?
The InChIKey is JUKJIZXUOMJXHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3/c17-11-15(16-6-3-9-18-19-16)14-8-7-12-4-1-2-5-13(12)10-14/h3,6-10,15H,1-2,4-5H2.
What are the key properties of 2-pyridazin-3-yl-2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetonitrile?
2-pyridazin-3-yl-2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetonitrile has a molecular weight of 249.32 g/mol, XLogP of 3.01, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyridazin-3-yl-2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetonitrile is sourced from PubChem (CID 116833129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).