2-[[4-(diethylamino)-6-oxopyridazin-1-yl]methyl]-3,3,3-trifluoropropanenitrile

C12H15F3N4O — CID 103368209

IUPAC2-[[4-(diethylamino)-6-oxopyridazin-1-yl]methyl]-3,3,3-trifluoropropanenitrile
SMILESCCN(CC)c1cnn(CC(C#N)C(F)(F)F)c(=O)c1
InChIInChI=1S/C12H15F3N4O/c1-3-18(4-2)10-5-11(20)19(17-7-10)8-9(6-16)12(13,14)15/h5,7,9H,3-4,8H2,1-2H3
InChIKeyTWNNIDAHDOTZFB-UHFFFAOYSA-N
MW288.27 g/mol
LogP1.79
Rot. Bonds5

About 2-[[4-(diethylamino)-6-oxopyridazin-1-yl]methyl]-3,3,3-trifluoropropanenitrile

2-[[4-(diethylamino)-6-oxopyridazin-1-yl]methyl]-3,3,3-trifluoropropanenitrile (PubChem CID 103368209) has the molecular formula C12H15F3N4O and a molecular weight of 288.27 g/mol. Its IUPAC name is 2-[[4-(diethylamino)-6-oxopyridazin-1-yl]methyl]-3,3,3-trifluoropropanenitrile.

Molecular Properties

Compound Name2-[[4-(diethylamino)-6-oxopyridazin-1-yl]methyl]-3,3,3-trifluoropropanenitrile
PubChem CID103368209
Molecular FormulaC12H15F3N4O
Molecular Weight288.27 g/mol
Exact Mass288.12
IUPAC Name2-[[4-(diethylamino)-6-oxopyridazin-1-yl]methyl]-3,3,3-trifluoropropanenitrile
SMILESCCN(CC)c1cnn(CC(C#N)C(F)(F)F)c(=O)c1
InChIInChI=1S/C12H15F3N4O/c1-3-18(4-2)10-5-11(20)19(17-7-10)8-9(6-16)12(13,14)15/h5,7,9H,3-4,8H2,1-2H3
InChIKeyTWNNIDAHDOTZFB-UHFFFAOYSA-N
XLogP1.79
TPSA61.92 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.27
LogP ≤ 51.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-[[4-(diethylamino)-6-oxopyridazin-1-yl]methyl]-3,3,3-trifluoropropanenitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-(dimethylamino)-2-(3,3,4,4,4-pentafluorobutyl)-3(2H)-pyridazinone
CID 28871573
2-[2-(Aminomethyl)-3,3,3-trifluoropropyl]-5-(dimethylamino)pyridazin-3-one
CID 103366653
2-[2-(Aminomethyl)-3,3,3-trifluoropropyl]-5-[ethyl(methyl)amino]pyridazin-3-one
CID 103366657
2-[2-(Aminomethyl)-3,3,3-trifluoropropyl]-5-(diethylamino)pyridazin-3-one
CID 103366658
2-[2-(Aminomethyl)-3,3,3-trifluoropropyl]-5-[methyl(propyl)amino]pyridazin-3-one
CID 103366659
3,3,3-Trifluoro-2-[(6-oxo-4-pyrrolidin-1-ylpyridazin-1-yl)methyl]propanenitrile
CID 103368204
3,3,3-Trifluoro-2-[(6-oxo-4-piperidin-1-ylpyridazin-1-yl)methyl]propanenitrile
CID 103368206
3,3,3-Trifluoro-2-[[4-[2-methoxyethyl(methyl)amino]-6-oxopyridazin-1-yl]methyl]propanenitrile
CID 103368207
2-[[4-[Ethyl(methyl)amino]-6-oxopyridazin-1-yl]methyl]-3,3,3-trifluoropropanenitrile
CID 103368208
3,3,3-Trifluoro-2-[[4-[methyl(propyl)amino]-6-oxopyridazin-1-yl]methyl]propanenitrile
CID 103368210
3,3,3-Trifluoro-2-[(4-methyl-6-oxopyridazin-1-yl)methyl]propanenitrile
CID 106548687
2-[[4-(Dimethylamino)-6-oxopyridazin-1-yl]methyl]-3,3,3-trifluoropropanenitrile
CID 113807739

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(diethylamino)-6-oxopyridazin-1-yl]methyl]-3,3,3-trifluoropropanenitrile?
The IUPAC name of 2-[[4-(diethylamino)-6-oxopyridazin-1-yl]methyl]-3,3,3-trifluoropropanenitrile (CID 103368209) is 2-[[4-(diethylamino)-6-oxopyridazin-1-yl]methyl]-3,3,3-trifluoropropanenitrile.
What is the SMILES notation for 2-[[4-(diethylamino)-6-oxopyridazin-1-yl]methyl]-3,3,3-trifluoropropanenitrile?
The canonical SMILES for 2-[[4-(diethylamino)-6-oxopyridazin-1-yl]methyl]-3,3,3-trifluoropropanenitrile is CCN(CC)c1cnn(CC(C#N)C(F)(F)F)c(=O)c1.
What is the InChIKey of 2-[[4-(diethylamino)-6-oxopyridazin-1-yl]methyl]-3,3,3-trifluoropropanenitrile?
The InChIKey is TWNNIDAHDOTZFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F3N4O/c1-3-18(4-2)10-5-11(20)19(17-7-10)8-9(6-16)12(13,14)15/h5,7,9H,3-4,8H2,1-2H3.
What are the key properties of 2-[[4-(diethylamino)-6-oxopyridazin-1-yl]methyl]-3,3,3-trifluoropropanenitrile?
2-[[4-(diethylamino)-6-oxopyridazin-1-yl]methyl]-3,3,3-trifluoropropanenitrile has a molecular weight of 288.27 g/mol, XLogP of 1.79, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(diethylamino)-6-oxopyridazin-1-yl]methyl]-3,3,3-trifluoropropanenitrile is sourced from PubChem (CID 103368209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).