5,6-diethyl-3-[(3,3,3-trifluoro-2-hydroxypropyl)amino]pyridazine-4-carbonitrile

C12H15F3N4O — CID 103756469

IUPAC5,6-diethyl-3-[(3,3,3-trifluoro-2-hydroxypropyl)amino]pyridazine-4-carbonitrile
SMILESCCc1nnc(NCC(O)C(F)(F)F)c(C#N)c1CC
InChIInChI=1S/C12H15F3N4O/c1-3-7-8(5-16)11(19-18-9(7)4-2)17-6-10(20)12(13,14)15/h10,20H,3-4,6H2,1-2H3,(H,17,19)
InChIKeyHUMUQGOVPBUEBZ-UHFFFAOYSA-N
MW288.27 g/mol
LogP1.81
Rot. Bonds5

About 5,6-diethyl-3-[(3,3,3-trifluoro-2-hydroxypropyl)amino]pyridazine-4-carbonitrile

5,6-diethyl-3-[(3,3,3-trifluoro-2-hydroxypropyl)amino]pyridazine-4-carbonitrile (PubChem CID 103756469) has the molecular formula C12H15F3N4O and a molecular weight of 288.27 g/mol. Its IUPAC name is 5,6-diethyl-3-[(3,3,3-trifluoro-2-hydroxypropyl)amino]pyridazine-4-carbonitrile.

Molecular Properties

Compound Name5,6-diethyl-3-[(3,3,3-trifluoro-2-hydroxypropyl)amino]pyridazine-4-carbonitrile
PubChem CID103756469
Molecular FormulaC12H15F3N4O
Molecular Weight288.27 g/mol
Exact Mass288.12
IUPAC Name5,6-diethyl-3-[(3,3,3-trifluoro-2-hydroxypropyl)amino]pyridazine-4-carbonitrile
SMILESCCc1nnc(NCC(O)C(F)(F)F)c(C#N)c1CC
InChIInChI=1S/C12H15F3N4O/c1-3-7-8(5-16)11(19-18-9(7)4-2)17-6-10(20)12(13,14)15/h10,20H,3-4,6H2,1-2H3,(H,17,19)
InChIKeyHUMUQGOVPBUEBZ-UHFFFAOYSA-N
XLogP1.81
TPSA81.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.27
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5,6-diethyl-3-[(3,3,3-trifluoro-2-hydroxypropyl)amino]pyridazine-4-carbonitrile?
The IUPAC name of 5,6-diethyl-3-[(3,3,3-trifluoro-2-hydroxypropyl)amino]pyridazine-4-carbonitrile (CID 103756469) is 5,6-diethyl-3-[(3,3,3-trifluoro-2-hydroxypropyl)amino]pyridazine-4-carbonitrile.
What is the SMILES notation for 5,6-diethyl-3-[(3,3,3-trifluoro-2-hydroxypropyl)amino]pyridazine-4-carbonitrile?
The canonical SMILES for 5,6-diethyl-3-[(3,3,3-trifluoro-2-hydroxypropyl)amino]pyridazine-4-carbonitrile is CCc1nnc(NCC(O)C(F)(F)F)c(C#N)c1CC.
What is the InChIKey of 5,6-diethyl-3-[(3,3,3-trifluoro-2-hydroxypropyl)amino]pyridazine-4-carbonitrile?
The InChIKey is HUMUQGOVPBUEBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F3N4O/c1-3-7-8(5-16)11(19-18-9(7)4-2)17-6-10(20)12(13,14)15/h10,20H,3-4,6H2,1-2H3,(H,17,19).
What are the key properties of 5,6-diethyl-3-[(3,3,3-trifluoro-2-hydroxypropyl)amino]pyridazine-4-carbonitrile?
5,6-diethyl-3-[(3,3,3-trifluoro-2-hydroxypropyl)amino]pyridazine-4-carbonitrile has a molecular weight of 288.27 g/mol, XLogP of 1.81, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-diethyl-3-[(3,3,3-trifluoro-2-hydroxypropyl)amino]pyridazine-4-carbonitrile is sourced from PubChem (CID 103756469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).