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

C11H16F3N5 — CID 55011532

IUPAC3-[ethyl(2,2,2-trifluoroethyl)amino]-5,6-dimethylpyridazine-4-carboximidamide
SMILES[H]/N=C(\N)c1c(N(CC)CC(F)(F)F)nnc(C)c1C
InChIInChI=1S/C11H16F3N5/c1-4-19(5-11(12,13)14)10-8(9(15)16)6(2)7(3)17-18-10/h4-5H2,1-3H3,(H3,15,16)
InChIKeyDRJUDOGHAJQGGT-UHFFFAOYSA-N
MW275.28 g/mol
LogP1.77
Rot. Bonds4

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

3-[ethyl(2,2,2-trifluoroethyl)amino]-5,6-dimethylpyridazine-4-carboximidamide (PubChem CID 55011532) has the molecular formula C11H16F3N5 and a molecular weight of 275.28 g/mol. Its IUPAC name is 3-[ethyl(2,2,2-trifluoroethyl)amino]-5,6-dimethylpyridazine-4-carboximidamide.

Molecular Properties

Compound Name3-[ethyl(2,2,2-trifluoroethyl)amino]-5,6-dimethylpyridazine-4-carboximidamide
PubChem CID55011532
Molecular FormulaC11H16F3N5
Molecular Weight275.28 g/mol
Exact Mass275.14
IUPAC Name3-[ethyl(2,2,2-trifluoroethyl)amino]-5,6-dimethylpyridazine-4-carboximidamide
SMILES[H]/N=C(\N)c1c(N(CC)CC(F)(F)F)nnc(C)c1C
InChIInChI=1S/C11H16F3N5/c1-4-19(5-11(12,13)14)10-8(9(15)16)6(2)7(3)17-18-10/h4-5H2,1-3H3,(H3,15,16)
InChIKeyDRJUDOGHAJQGGT-UHFFFAOYSA-N
XLogP1.77
TPSA78.89 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.28
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze 3-[ethyl(2,2,2-trifluoroethyl)amino]-5,6-dimethylpyridazine-4-carboximidamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[ethyl(2,2,2-trifluoroethyl)amino]-5,6-dimethylpyridazine-4-carboximidamide?
The IUPAC name of 3-[ethyl(2,2,2-trifluoroethyl)amino]-5,6-dimethylpyridazine-4-carboximidamide (CID 55011532) is 3-[ethyl(2,2,2-trifluoroethyl)amino]-5,6-dimethylpyridazine-4-carboximidamide.
What is the SMILES notation for 3-[ethyl(2,2,2-trifluoroethyl)amino]-5,6-dimethylpyridazine-4-carboximidamide?
The canonical SMILES for 3-[ethyl(2,2,2-trifluoroethyl)amino]-5,6-dimethylpyridazine-4-carboximidamide is [H]/N=C(\N)c1c(N(CC)CC(F)(F)F)nnc(C)c1C.
What is the InChIKey of 3-[ethyl(2,2,2-trifluoroethyl)amino]-5,6-dimethylpyridazine-4-carboximidamide?
The InChIKey is DRJUDOGHAJQGGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F3N5/c1-4-19(5-11(12,13)14)10-8(9(15)16)6(2)7(3)17-18-10/h4-5H2,1-3H3,(H3,15,16).
What are the key properties of 3-[ethyl(2,2,2-trifluoroethyl)amino]-5,6-dimethylpyridazine-4-carboximidamide?
3-[ethyl(2,2,2-trifluoroethyl)amino]-5,6-dimethylpyridazine-4-carboximidamide has a molecular weight of 275.28 g/mol, XLogP of 1.77, 4 rotatable bonds, 2 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-carboximidamide is sourced from PubChem (CID 55011532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).