3-[(2,2-difluoro-3-hydroxypropyl)amino]-5,6-diethylpyridazine-4-carbonitrile

C12H16F2N4O — CID 104858530

IUPAC3-[(2,2-difluoro-3-hydroxypropyl)amino]-5,6-diethylpyridazine-4-carbonitrile
SMILESCCc1nnc(NCC(F)(F)CO)c(C#N)c1CC
InChIInChI=1S/C12H16F2N4O/c1-3-8-9(5-15)11(18-17-10(8)4-2)16-6-12(13,14)7-19/h19H,3-4,6-7H2,1-2H3,(H,16,18)
InChIKeyNWGBPCBNAOBGIS-UHFFFAOYSA-N
MW270.28 g/mol
LogP1.51
Rot. Bonds6

About 3-[(2,2-difluoro-3-hydroxypropyl)amino]-5,6-diethylpyridazine-4-carbonitrile

3-[(2,2-difluoro-3-hydroxypropyl)amino]-5,6-diethylpyridazine-4-carbonitrile (PubChem CID 104858530) has the molecular formula C12H16F2N4O and a molecular weight of 270.28 g/mol. Its IUPAC name is 3-[(2,2-difluoro-3-hydroxypropyl)amino]-5,6-diethylpyridazine-4-carbonitrile.

Molecular Properties

Compound Name3-[(2,2-difluoro-3-hydroxypropyl)amino]-5,6-diethylpyridazine-4-carbonitrile
PubChem CID104858530
Molecular FormulaC12H16F2N4O
Molecular Weight270.28 g/mol
Exact Mass270.13
IUPAC Name3-[(2,2-difluoro-3-hydroxypropyl)amino]-5,6-diethylpyridazine-4-carbonitrile
SMILESCCc1nnc(NCC(F)(F)CO)c(C#N)c1CC
InChIInChI=1S/C12H16F2N4O/c1-3-8-9(5-15)11(18-17-10(8)4-2)16-6-12(13,14)7-19/h19H,3-4,6-7H2,1-2H3,(H,16,18)
InChIKeyNWGBPCBNAOBGIS-UHFFFAOYSA-N
XLogP1.51
TPSA81.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.28
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 3-[(2,2-difluoro-3-hydroxypropyl)amino]-5,6-diethylpyridazine-4-carbonitrile 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

3-[(2,3-dihydroxy-2-methylpropyl)amino]-5,6-diethylpyridazine-4-carbonitrile
CID 80514396
3-[(4-cyano-5,6-diethylpyridazin-3-yl)amino]-2,2-dimethylpropanoic acid
CID 115427688
5,6-diethyl-3-[(2-hydroxy-2-methyl-3-methylsulfanylpropyl)amino]pyridazine-4-carbonitrile
CID 103757052
methyl 2-[(4-cyano-5,6-diethylpyridazin-3-yl)amino]acetate
CID 80509437
5,6-diethyl-3-(prop-2-ynylamino)pyridazine-4-carbonitrile
CID 80509398
5,6-diethyl-3-(2-methylsulfanylethylamino)pyridazine-4-carbonitrile
CID 80509565
2-[(4-cyano-5,6-diethylpyridazin-3-yl)amino]-N-methylacetamide
CID 80509499
5,6-diethyl-3-[[1-(2-hydroxyethyl)cyclopropyl]methylamino]pyridazine-4-carbonitrile
CID 114749570
2-[(4-cyano-5,6-diethylpyridazin-3-yl)amino]ethylurea
CID 80527134
5,6-diethyl-3-[(3-ethyl-2-hydroxypentyl)amino]pyridazine-4-carbonitrile
CID 103756843
3-(2-cyclohexylethylamino)-5,6-diethylpyridazine-4-carbonitrile
CID 80504469
4-[(4-cyano-5,6-diethylpyridazin-3-yl)amino]butanoic acid
CID 80508019

Frequently Asked Questions

What is the IUPAC name of 3-[(2,2-difluoro-3-hydroxypropyl)amino]-5,6-diethylpyridazine-4-carbonitrile?
The IUPAC name of 3-[(2,2-difluoro-3-hydroxypropyl)amino]-5,6-diethylpyridazine-4-carbonitrile (CID 104858530) is 3-[(2,2-difluoro-3-hydroxypropyl)amino]-5,6-diethylpyridazine-4-carbonitrile.
What is the SMILES notation for 3-[(2,2-difluoro-3-hydroxypropyl)amino]-5,6-diethylpyridazine-4-carbonitrile?
The canonical SMILES for 3-[(2,2-difluoro-3-hydroxypropyl)amino]-5,6-diethylpyridazine-4-carbonitrile is CCc1nnc(NCC(F)(F)CO)c(C#N)c1CC.
What is the InChIKey of 3-[(2,2-difluoro-3-hydroxypropyl)amino]-5,6-diethylpyridazine-4-carbonitrile?
The InChIKey is NWGBPCBNAOBGIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F2N4O/c1-3-8-9(5-15)11(18-17-10(8)4-2)16-6-12(13,14)7-19/h19H,3-4,6-7H2,1-2H3,(H,16,18).
What are the key properties of 3-[(2,2-difluoro-3-hydroxypropyl)amino]-5,6-diethylpyridazine-4-carbonitrile?
3-[(2,2-difluoro-3-hydroxypropyl)amino]-5,6-diethylpyridazine-4-carbonitrile has a molecular weight of 270.28 g/mol, XLogP of 1.51, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2,2-difluoro-3-hydroxypropyl)amino]-5,6-diethylpyridazine-4-carbonitrile is sourced from PubChem (CID 104858530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).