3-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]-5,6-dimethylpyridazine-4-carbonitrile

C11H13F3N4O — CID 107479633

IUPAC3-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]-5,6-dimethylpyridazine-4-carbonitrile
SMILESCc1nnc(N(CCO)CC(F)(F)F)c(C#N)c1C
InChIInChI=1S/C11H13F3N4O/c1-7-8(2)16-17-10(9(7)5-15)18(3-4-19)6-11(12,13)14/h19H,3-4,6H2,1-2H3
InChIKeyNCKCUNPXNUTIAZ-UHFFFAOYSA-N
MW274.25 g/mol
LogP1.33
Rot. Bonds4

About 3-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]-5,6-dimethylpyridazine-4-carbonitrile

3-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]-5,6-dimethylpyridazine-4-carbonitrile (PubChem CID 107479633) has the molecular formula C11H13F3N4O and a molecular weight of 274.25 g/mol. Its IUPAC name is 3-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]-5,6-dimethylpyridazine-4-carbonitrile.

Molecular Properties

Compound Name3-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]-5,6-dimethylpyridazine-4-carbonitrile
PubChem CID107479633
Molecular FormulaC11H13F3N4O
Molecular Weight274.25 g/mol
Exact Mass274.10
IUPAC Name3-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]-5,6-dimethylpyridazine-4-carbonitrile
SMILESCc1nnc(N(CCO)CC(F)(F)F)c(C#N)c1C
InChIInChI=1S/C11H13F3N4O/c1-7-8(2)16-17-10(9(7)5-15)18(3-4-19)6-11(12,13)14/h19H,3-4,6H2,1-2H3
InChIKeyNCKCUNPXNUTIAZ-UHFFFAOYSA-N
XLogP1.33
TPSA73.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.25
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]-5,6-dimethylpyridazine-4-carbonitrile?
The IUPAC name of 3-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]-5,6-dimethylpyridazine-4-carbonitrile (CID 107479633) is 3-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]-5,6-dimethylpyridazine-4-carbonitrile.
What is the SMILES notation for 3-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]-5,6-dimethylpyridazine-4-carbonitrile?
The canonical SMILES for 3-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]-5,6-dimethylpyridazine-4-carbonitrile is Cc1nnc(N(CCO)CC(F)(F)F)c(C#N)c1C.
What is the InChIKey of 3-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]-5,6-dimethylpyridazine-4-carbonitrile?
The InChIKey is NCKCUNPXNUTIAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F3N4O/c1-7-8(2)16-17-10(9(7)5-15)18(3-4-19)6-11(12,13)14/h19H,3-4,6H2,1-2H3.
What are the key properties of 3-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]-5,6-dimethylpyridazine-4-carbonitrile?
3-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]-5,6-dimethylpyridazine-4-carbonitrile has a molecular weight of 274.25 g/mol, XLogP of 1.33, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]-5,6-dimethylpyridazine-4-carbonitrile is sourced from PubChem (CID 107479633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).