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

C11H13F3N4O — CID 103368208

IUPAC2-[[4-[ethyl(methyl)amino]-6-oxopyridazin-1-yl]methyl]-3,3,3-trifluoropropanenitrile
SMILESCCN(C)c1cnn(CC(C#N)C(F)(F)F)c(=O)c1
InChIInChI=1S/C11H13F3N4O/c1-3-17(2)9-4-10(19)18(16-6-9)7-8(5-15)11(12,13)14/h4,6,8H,3,7H2,1-2H3
InChIKeyMHFSYTFTVRORFU-UHFFFAOYSA-N
MW274.25 g/mol
LogP1.40
Rot. Bonds4

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

2-[[4-[ethyl(methyl)amino]-6-oxopyridazin-1-yl]methyl]-3,3,3-trifluoropropanenitrile (PubChem CID 103368208) has the molecular formula C11H13F3N4O and a molecular weight of 274.25 g/mol. Its IUPAC name is 2-[[4-[ethyl(methyl)amino]-6-oxopyridazin-1-yl]methyl]-3,3,3-trifluoropropanenitrile.

Molecular Properties

Compound Name2-[[4-[ethyl(methyl)amino]-6-oxopyridazin-1-yl]methyl]-3,3,3-trifluoropropanenitrile
PubChem CID103368208
Molecular FormulaC11H13F3N4O
Molecular Weight274.25 g/mol
Exact Mass274.10
IUPAC Name2-[[4-[ethyl(methyl)amino]-6-oxopyridazin-1-yl]methyl]-3,3,3-trifluoropropanenitrile
SMILESCCN(C)c1cnn(CC(C#N)C(F)(F)F)c(=O)c1
InChIInChI=1S/C11H13F3N4O/c1-3-17(2)9-4-10(19)18(16-6-9)7-8(5-15)11(12,13)14/h4,6,8H,3,7H2,1-2H3
InChIKeyMHFSYTFTVRORFU-UHFFFAOYSA-N
XLogP1.40
TPSA61.92 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.25
LogP ≤ 51.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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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-(Diethylamino)-6-oxopyridazin-1-yl]methyl]-3,3,3-trifluoropropanenitrile
CID 103368209
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-[ethyl(methyl)amino]-6-oxopyridazin-1-yl]methyl]-3,3,3-trifluoropropanenitrile?
The IUPAC name of 2-[[4-[ethyl(methyl)amino]-6-oxopyridazin-1-yl]methyl]-3,3,3-trifluoropropanenitrile (CID 103368208) is 2-[[4-[ethyl(methyl)amino]-6-oxopyridazin-1-yl]methyl]-3,3,3-trifluoropropanenitrile.
What is the SMILES notation for 2-[[4-[ethyl(methyl)amino]-6-oxopyridazin-1-yl]methyl]-3,3,3-trifluoropropanenitrile?
The canonical SMILES for 2-[[4-[ethyl(methyl)amino]-6-oxopyridazin-1-yl]methyl]-3,3,3-trifluoropropanenitrile is CCN(C)c1cnn(CC(C#N)C(F)(F)F)c(=O)c1.
What is the InChIKey of 2-[[4-[ethyl(methyl)amino]-6-oxopyridazin-1-yl]methyl]-3,3,3-trifluoropropanenitrile?
The InChIKey is MHFSYTFTVRORFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F3N4O/c1-3-17(2)9-4-10(19)18(16-6-9)7-8(5-15)11(12,13)14/h4,6,8H,3,7H2,1-2H3.
What are the key properties of 2-[[4-[ethyl(methyl)amino]-6-oxopyridazin-1-yl]methyl]-3,3,3-trifluoropropanenitrile?
2-[[4-[ethyl(methyl)amino]-6-oxopyridazin-1-yl]methyl]-3,3,3-trifluoropropanenitrile has a molecular weight of 274.25 g/mol, XLogP of 1.40, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-[ethyl(methyl)amino]-6-oxopyridazin-1-yl]methyl]-3,3,3-trifluoropropanenitrile is sourced from PubChem (CID 103368208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).