3-[2,2-difluoroethyl(2-hydroxyethyl)amino]-5,6-diethylpyridazine-4-carbonitrile

C13H18F2N4O — CID 107479571

IUPAC3-[2,2-difluoroethyl(2-hydroxyethyl)amino]-5,6-diethylpyridazine-4-carbonitrile
SMILESCCc1nnc(N(CCO)CC(F)F)c(C#N)c1CC
InChIInChI=1S/C13H18F2N4O/c1-3-9-10(7-16)13(18-17-11(9)4-2)19(5-6-20)8-12(14)15/h12,20H,3-6,8H2,1-2H3
InChIKeyVEOIFYBZZTZWJL-UHFFFAOYSA-N
MW284.31 g/mol
LogP1.54
Rot. Bonds7

About 3-[2,2-difluoroethyl(2-hydroxyethyl)amino]-5,6-diethylpyridazine-4-carbonitrile

3-[2,2-difluoroethyl(2-hydroxyethyl)amino]-5,6-diethylpyridazine-4-carbonitrile (PubChem CID 107479571) has the molecular formula C13H18F2N4O and a molecular weight of 284.31 g/mol. Its IUPAC name is 3-[2,2-difluoroethyl(2-hydroxyethyl)amino]-5,6-diethylpyridazine-4-carbonitrile.

Molecular Properties

Compound Name3-[2,2-difluoroethyl(2-hydroxyethyl)amino]-5,6-diethylpyridazine-4-carbonitrile
PubChem CID107479571
Molecular FormulaC13H18F2N4O
Molecular Weight284.31 g/mol
Exact Mass284.14
IUPAC Name3-[2,2-difluoroethyl(2-hydroxyethyl)amino]-5,6-diethylpyridazine-4-carbonitrile
SMILESCCc1nnc(N(CCO)CC(F)F)c(C#N)c1CC
InChIInChI=1S/C13H18F2N4O/c1-3-9-10(7-16)13(18-17-11(9)4-2)19(5-6-20)8-12(14)15/h12,20H,3-6,8H2,1-2H3
InChIKeyVEOIFYBZZTZWJL-UHFFFAOYSA-N
XLogP1.54
TPSA73.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.31
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[2,2-difluoroethyl(2-hydroxyethyl)amino]-5,6-diethylpyridazine-4-carbonitrile?
The IUPAC name of 3-[2,2-difluoroethyl(2-hydroxyethyl)amino]-5,6-diethylpyridazine-4-carbonitrile (CID 107479571) is 3-[2,2-difluoroethyl(2-hydroxyethyl)amino]-5,6-diethylpyridazine-4-carbonitrile.
What is the SMILES notation for 3-[2,2-difluoroethyl(2-hydroxyethyl)amino]-5,6-diethylpyridazine-4-carbonitrile?
The canonical SMILES for 3-[2,2-difluoroethyl(2-hydroxyethyl)amino]-5,6-diethylpyridazine-4-carbonitrile is CCc1nnc(N(CCO)CC(F)F)c(C#N)c1CC.
What is the InChIKey of 3-[2,2-difluoroethyl(2-hydroxyethyl)amino]-5,6-diethylpyridazine-4-carbonitrile?
The InChIKey is VEOIFYBZZTZWJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F2N4O/c1-3-9-10(7-16)13(18-17-11(9)4-2)19(5-6-20)8-12(14)15/h12,20H,3-6,8H2,1-2H3.
What are the key properties of 3-[2,2-difluoroethyl(2-hydroxyethyl)amino]-5,6-diethylpyridazine-4-carbonitrile?
3-[2,2-difluoroethyl(2-hydroxyethyl)amino]-5,6-diethylpyridazine-4-carbonitrile has a molecular weight of 284.31 g/mol, XLogP of 1.54, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2,2-difluoroethyl(2-hydroxyethyl)amino]-5,6-diethylpyridazine-4-carbonitrile is sourced from PubChem (CID 107479571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).