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

C11H13F3N4 — CID 55009145

IUPAC3-[ethyl(2,2,2-trifluoroethyl)amino]-5,6-dimethylpyridazine-4-carbonitrile
SMILESCCN(CC(F)(F)F)c1nnc(C)c(C)c1C#N
InChIInChI=1S/C11H13F3N4/c1-4-18(6-11(12,13)14)10-9(5-15)7(2)8(3)16-17-10/h4,6H2,1-3H3
InChIKeyKXRWPPDSTZOFAA-UHFFFAOYSA-N
MW258.25 g/mol
LogP2.35
Rot. Bonds3

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

3-[ethyl(2,2,2-trifluoroethyl)amino]-5,6-dimethylpyridazine-4-carbonitrile (PubChem CID 55009145) has the molecular formula C11H13F3N4 and a molecular weight of 258.25 g/mol. Its IUPAC name is 3-[ethyl(2,2,2-trifluoroethyl)amino]-5,6-dimethylpyridazine-4-carbonitrile.

Molecular Properties

Compound Name3-[ethyl(2,2,2-trifluoroethyl)amino]-5,6-dimethylpyridazine-4-carbonitrile
PubChem CID55009145
Molecular FormulaC11H13F3N4
Molecular Weight258.25 g/mol
Exact Mass258.11
IUPAC Name3-[ethyl(2,2,2-trifluoroethyl)amino]-5,6-dimethylpyridazine-4-carbonitrile
SMILESCCN(CC(F)(F)F)c1nnc(C)c(C)c1C#N
InChIInChI=1S/C11H13F3N4/c1-4-18(6-11(12,13)14)10-9(5-15)7(2)8(3)16-17-10/h4,6H2,1-3H3
InChIKeyKXRWPPDSTZOFAA-UHFFFAOYSA-N
XLogP2.35
TPSA52.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.25
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[ethyl(2,2,2-trifluoroethyl)amino]-5,6-dimethylpyridazine-4-carbonitrile?
The IUPAC name of 3-[ethyl(2,2,2-trifluoroethyl)amino]-5,6-dimethylpyridazine-4-carbonitrile (CID 55009145) is 3-[ethyl(2,2,2-trifluoroethyl)amino]-5,6-dimethylpyridazine-4-carbonitrile.
What is the SMILES notation for 3-[ethyl(2,2,2-trifluoroethyl)amino]-5,6-dimethylpyridazine-4-carbonitrile?
The canonical SMILES for 3-[ethyl(2,2,2-trifluoroethyl)amino]-5,6-dimethylpyridazine-4-carbonitrile is CCN(CC(F)(F)F)c1nnc(C)c(C)c1C#N.
What is the InChIKey of 3-[ethyl(2,2,2-trifluoroethyl)amino]-5,6-dimethylpyridazine-4-carbonitrile?
The InChIKey is KXRWPPDSTZOFAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F3N4/c1-4-18(6-11(12,13)14)10-9(5-15)7(2)8(3)16-17-10/h4,6H2,1-3H3.
What are the key properties of 3-[ethyl(2,2,2-trifluoroethyl)amino]-5,6-dimethylpyridazine-4-carbonitrile?
3-[ethyl(2,2,2-trifluoroethyl)amino]-5,6-dimethylpyridazine-4-carbonitrile has a molecular weight of 258.25 g/mol, XLogP of 2.35, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[ethyl(2,2,2-trifluoroethyl)amino]-5,6-dimethylpyridazine-4-carbonitrile is sourced from PubChem (CID 55009145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).