2-[3-oxo-2-propyl-6-(5,6,7,8-tetrahydronaphthalen-2-yl)pyridazin-4-yl]acetonitrile

C19H21N3O — CID 82446725

IUPAC2-[3-oxo-2-propyl-6-(5,6,7,8-tetrahydronaphthalen-2-yl)pyridazin-4-yl]acetonitrile
SMILESCCCn1nc(-c2ccc3c(c2)CCCC3)cc(CC#N)c1=O
InChIInChI=1S/C19H21N3O/c1-2-11-22-19(23)17(9-10-20)13-18(21-22)16-8-7-14-5-3-4-6-15(14)12-16/h7-8,12-13H,2-6,9,11H2,1H3
InChIKeyFJESASDAZZNRGX-UHFFFAOYSA-N
MW307.40 g/mol
LogP3.27
Rot. Bonds4

About 2-[3-oxo-2-propyl-6-(5,6,7,8-tetrahydronaphthalen-2-yl)pyridazin-4-yl]acetonitrile

2-[3-oxo-2-propyl-6-(5,6,7,8-tetrahydronaphthalen-2-yl)pyridazin-4-yl]acetonitrile (PubChem CID 82446725) has the molecular formula C19H21N3O and a molecular weight of 307.40 g/mol. Its IUPAC name is 2-[3-oxo-2-propyl-6-(5,6,7,8-tetrahydronaphthalen-2-yl)pyridazin-4-yl]acetonitrile.

Molecular Properties

Compound Name2-[3-oxo-2-propyl-6-(5,6,7,8-tetrahydronaphthalen-2-yl)pyridazin-4-yl]acetonitrile
PubChem CID82446725
Molecular FormulaC19H21N3O
Molecular Weight307.40 g/mol
Exact Mass307.17
IUPAC Name2-[3-oxo-2-propyl-6-(5,6,7,8-tetrahydronaphthalen-2-yl)pyridazin-4-yl]acetonitrile
SMILESCCCn1nc(-c2ccc3c(c2)CCCC3)cc(CC#N)c1=O
InChIInChI=1S/C19H21N3O/c1-2-11-22-19(23)17(9-10-20)13-18(21-22)16-8-7-14-5-3-4-6-15(14)12-16/h7-8,12-13H,2-6,9,11H2,1H3
InChIKeyFJESASDAZZNRGX-UHFFFAOYSA-N
XLogP3.27
TPSA58.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.40
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[3-oxo-2-propyl-6-(5,6,7,8-tetrahydronaphthalen-2-yl)pyridazin-4-yl]acetonitrile?
The IUPAC name of 2-[3-oxo-2-propyl-6-(5,6,7,8-tetrahydronaphthalen-2-yl)pyridazin-4-yl]acetonitrile (CID 82446725) is 2-[3-oxo-2-propyl-6-(5,6,7,8-tetrahydronaphthalen-2-yl)pyridazin-4-yl]acetonitrile.
What is the SMILES notation for 2-[3-oxo-2-propyl-6-(5,6,7,8-tetrahydronaphthalen-2-yl)pyridazin-4-yl]acetonitrile?
The canonical SMILES for 2-[3-oxo-2-propyl-6-(5,6,7,8-tetrahydronaphthalen-2-yl)pyridazin-4-yl]acetonitrile is CCCn1nc(-c2ccc3c(c2)CCCC3)cc(CC#N)c1=O.
What is the InChIKey of 2-[3-oxo-2-propyl-6-(5,6,7,8-tetrahydronaphthalen-2-yl)pyridazin-4-yl]acetonitrile?
The InChIKey is FJESASDAZZNRGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O/c1-2-11-22-19(23)17(9-10-20)13-18(21-22)16-8-7-14-5-3-4-6-15(14)12-16/h7-8,12-13H,2-6,9,11H2,1H3.
What are the key properties of 2-[3-oxo-2-propyl-6-(5,6,7,8-tetrahydronaphthalen-2-yl)pyridazin-4-yl]acetonitrile?
2-[3-oxo-2-propyl-6-(5,6,7,8-tetrahydronaphthalen-2-yl)pyridazin-4-yl]acetonitrile has a molecular weight of 307.40 g/mol, XLogP of 3.27, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-oxo-2-propyl-6-(5,6,7,8-tetrahydronaphthalen-2-yl)pyridazin-4-yl]acetonitrile is sourced from PubChem (CID 82446725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).