N-(2-hydroxyethyl)-3,6-dimethyl-N-(2,2,2-trifluoroethyl)pyridazine-4-carboxamide

C11H14F3N3O2 — CID 103915545

IUPACN-(2-hydroxyethyl)-3,6-dimethyl-N-(2,2,2-trifluoroethyl)pyridazine-4-carboxamide
SMILESCc1cc(C(=O)N(CCO)CC(F)(F)F)c(C)nn1
InChIInChI=1S/C11H14F3N3O2/c1-7-5-9(8(2)16-15-7)10(19)17(3-4-18)6-11(12,13)14/h5,18H,3-4,6H2,1-2H3
InChIKeyBVYBAEPUQJDQQZ-UHFFFAOYSA-N
MW277.25 g/mol
LogP1.09
Rot. Bonds4

About N-(2-hydroxyethyl)-3,6-dimethyl-N-(2,2,2-trifluoroethyl)pyridazine-4-carboxamide

N-(2-hydroxyethyl)-3,6-dimethyl-N-(2,2,2-trifluoroethyl)pyridazine-4-carboxamide (PubChem CID 103915545) has the molecular formula C11H14F3N3O2 and a molecular weight of 277.25 g/mol. Its IUPAC name is N-(2-hydroxyethyl)-3,6-dimethyl-N-(2,2,2-trifluoroethyl)pyridazine-4-carboxamide.

Molecular Properties

Compound NameN-(2-hydroxyethyl)-3,6-dimethyl-N-(2,2,2-trifluoroethyl)pyridazine-4-carboxamide
PubChem CID103915545
Molecular FormulaC11H14F3N3O2
Molecular Weight277.25 g/mol
Exact Mass277.10
IUPAC NameN-(2-hydroxyethyl)-3,6-dimethyl-N-(2,2,2-trifluoroethyl)pyridazine-4-carboxamide
SMILESCc1cc(C(=O)N(CCO)CC(F)(F)F)c(C)nn1
InChIInChI=1S/C11H14F3N3O2/c1-7-5-9(8(2)16-15-7)10(19)17(3-4-18)6-11(12,13)14/h5,18H,3-4,6H2,1-2H3
InChIKeyBVYBAEPUQJDQQZ-UHFFFAOYSA-N
XLogP1.09
TPSA66.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.25
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(2-hydroxyethyl)-3,6-dimethyl-N-(2,2,2-trifluoroethyl)pyridazine-4-carboxamide 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 N-(2-hydroxyethyl)-3,6-dimethyl-N-(2,2,2-trifluoroethyl)pyridazine-4-carboxamide?
The IUPAC name of N-(2-hydroxyethyl)-3,6-dimethyl-N-(2,2,2-trifluoroethyl)pyridazine-4-carboxamide (CID 103915545) is N-(2-hydroxyethyl)-3,6-dimethyl-N-(2,2,2-trifluoroethyl)pyridazine-4-carboxamide.
What is the SMILES notation for N-(2-hydroxyethyl)-3,6-dimethyl-N-(2,2,2-trifluoroethyl)pyridazine-4-carboxamide?
The canonical SMILES for N-(2-hydroxyethyl)-3,6-dimethyl-N-(2,2,2-trifluoroethyl)pyridazine-4-carboxamide is Cc1cc(C(=O)N(CCO)CC(F)(F)F)c(C)nn1.
What is the InChIKey of N-(2-hydroxyethyl)-3,6-dimethyl-N-(2,2,2-trifluoroethyl)pyridazine-4-carboxamide?
The InChIKey is BVYBAEPUQJDQQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F3N3O2/c1-7-5-9(8(2)16-15-7)10(19)17(3-4-18)6-11(12,13)14/h5,18H,3-4,6H2,1-2H3.
What are the key properties of N-(2-hydroxyethyl)-3,6-dimethyl-N-(2,2,2-trifluoroethyl)pyridazine-4-carboxamide?
N-(2-hydroxyethyl)-3,6-dimethyl-N-(2,2,2-trifluoroethyl)pyridazine-4-carboxamide has a molecular weight of 277.25 g/mol, XLogP of 1.09, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxyethyl)-3,6-dimethyl-N-(2,2,2-trifluoroethyl)pyridazine-4-carboxamide is sourced from PubChem (CID 103915545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).