2-[[ethyl-[(3-fluorophenyl)methyl]amino]methyl]-5,6-dimethyl-3-oxopyridazine-4-carbonitrile

C17H19FN4O — CID 9318110

IUPAC2-[[ethyl-[(3-fluorophenyl)methyl]amino]methyl]-5,6-dimethyl-3-oxopyridazine-4-carbonitrile
SMILESCCN(Cc1cccc(F)c1)Cn1nc(C)c(C)c(C#N)c1=O
InChIInChI=1S/C17H19FN4O/c1-4-21(10-14-6-5-7-15(18)8-14)11-22-17(23)16(9-19)12(2)13(3)20-22/h5-8H,4,10-11H2,1-3H3
InChIKeySDIVBZTTYGIPII-UHFFFAOYSA-N
MW314.36 g/mol
LogP2.35
Rot. Bonds5

About 2-[[ethyl-[(3-fluorophenyl)methyl]amino]methyl]-5,6-dimethyl-3-oxopyridazine-4-carbonitrile

2-[[ethyl-[(3-fluorophenyl)methyl]amino]methyl]-5,6-dimethyl-3-oxopyridazine-4-carbonitrile (PubChem CID 9318110) has the molecular formula C17H19FN4O and a molecular weight of 314.36 g/mol. Its IUPAC name is 2-[[ethyl-[(3-fluorophenyl)methyl]amino]methyl]-5,6-dimethyl-3-oxopyridazine-4-carbonitrile.

Molecular Properties

Compound Name2-[[ethyl-[(3-fluorophenyl)methyl]amino]methyl]-5,6-dimethyl-3-oxopyridazine-4-carbonitrile
PubChem CID9318110
Molecular FormulaC17H19FN4O
Molecular Weight314.36 g/mol
Exact Mass314.15
IUPAC Name2-[[ethyl-[(3-fluorophenyl)methyl]amino]methyl]-5,6-dimethyl-3-oxopyridazine-4-carbonitrile
SMILESCCN(Cc1cccc(F)c1)Cn1nc(C)c(C)c(C#N)c1=O
InChIInChI=1S/C17H19FN4O/c1-4-21(10-14-6-5-7-15(18)8-14)11-22-17(23)16(9-19)12(2)13(3)20-22/h5-8H,4,10-11H2,1-3H3
InChIKeySDIVBZTTYGIPII-UHFFFAOYSA-N
XLogP2.35
TPSA61.92 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.36
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[[(5-chlorothiophen-2-yl)methyl-ethylamino]methyl]-5,6-dimethyl-3-oxopyridazine-4-carbonitrile
CID 9279530
2-[ethyl-[(3-fluorophenyl)methyl]amino]acetonitrile
CID 60677065
2-[[ethyl-[(3-fluorophenyl)methyl]amino]methyl]benzonitrile
CID 51110440
2-[(6-fluoroquinolin-8-yl)methyl]-5,6-dimethyl-3-oxopyridazine-4-carbonitrile
CID 38838543
1-[[(3-fluorophenyl)methyl-methylamino]methyl]-4,5,6-trimethyl-2-sulfanylidenepyridine-3-carbonitrile
CID 9170448
N-[(4-cyanophenyl)methyl]-N-[(3-fluorophenyl)methyl]-2-(4-methyl-1-oxophthalazin-2-yl)acetamide
CID 55810892
2-[[(4,5-dimethoxy-2-methylphenyl)methyl-methylamino]methyl]-5,6-dimethyl-3-oxopyridazine-4-carbonitrile
CID 9234677
5,6-dimethyl-3-oxo-2-[2-oxo-2-[3-(trifluoromethyl)phenyl]ethyl]pyridazine-4-carbonitrile
CID 35300541
N-(2-cyanopropyl)-N-ethyl-2-[ethyl-[(3-fluorophenyl)methyl]amino]acetamide
CID 87014013
5,6-dimethyl-2-[(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]-3-oxopyridazine-4-carbonitrile
CID 24618847
2-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl]-5,6-dimethyl-3-oxopyridazine-4-carbonitrile
CID 18128366
5,6-dimethyl-2-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)methyl]-3-oxopyridazine-4-carbonitrile
CID 51106408

Frequently Asked Questions

What is the IUPAC name of 2-[[ethyl-[(3-fluorophenyl)methyl]amino]methyl]-5,6-dimethyl-3-oxopyridazine-4-carbonitrile?
The IUPAC name of 2-[[ethyl-[(3-fluorophenyl)methyl]amino]methyl]-5,6-dimethyl-3-oxopyridazine-4-carbonitrile (CID 9318110) is 2-[[ethyl-[(3-fluorophenyl)methyl]amino]methyl]-5,6-dimethyl-3-oxopyridazine-4-carbonitrile.
What is the SMILES notation for 2-[[ethyl-[(3-fluorophenyl)methyl]amino]methyl]-5,6-dimethyl-3-oxopyridazine-4-carbonitrile?
The canonical SMILES for 2-[[ethyl-[(3-fluorophenyl)methyl]amino]methyl]-5,6-dimethyl-3-oxopyridazine-4-carbonitrile is CCN(Cc1cccc(F)c1)Cn1nc(C)c(C)c(C#N)c1=O.
What is the InChIKey of 2-[[ethyl-[(3-fluorophenyl)methyl]amino]methyl]-5,6-dimethyl-3-oxopyridazine-4-carbonitrile?
The InChIKey is SDIVBZTTYGIPII-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FN4O/c1-4-21(10-14-6-5-7-15(18)8-14)11-22-17(23)16(9-19)12(2)13(3)20-22/h5-8H,4,10-11H2,1-3H3.
What are the key properties of 2-[[ethyl-[(3-fluorophenyl)methyl]amino]methyl]-5,6-dimethyl-3-oxopyridazine-4-carbonitrile?
2-[[ethyl-[(3-fluorophenyl)methyl]amino]methyl]-5,6-dimethyl-3-oxopyridazine-4-carbonitrile has a molecular weight of 314.36 g/mol, XLogP of 2.35, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[ethyl-[(3-fluorophenyl)methyl]amino]methyl]-5,6-dimethyl-3-oxopyridazine-4-carbonitrile is sourced from PubChem (CID 9318110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).