N-(2,2-difluoroethyl)-3-ethyl-N-(2-hydroxyethyl)-6-methylpyridazine-4-carboxamide

C12H17F2N3O2 — CID 107482520

IUPACN-(2,2-difluoroethyl)-3-ethyl-N-(2-hydroxyethyl)-6-methylpyridazine-4-carboxamide
SMILESCCc1nnc(C)cc1C(=O)N(CCO)CC(F)F
InChIInChI=1S/C12H17F2N3O2/c1-3-10-9(6-8(2)15-16-10)12(19)17(4-5-18)7-11(13)14/h6,11,18H,3-5,7H2,1-2H3
InChIKeyFFNILNLEEMICGK-UHFFFAOYSA-N
MW273.28 g/mol
LogP1.05
Rot. Bonds6

About N-(2,2-difluoroethyl)-3-ethyl-N-(2-hydroxyethyl)-6-methylpyridazine-4-carboxamide

N-(2,2-difluoroethyl)-3-ethyl-N-(2-hydroxyethyl)-6-methylpyridazine-4-carboxamide (PubChem CID 107482520) has the molecular formula C12H17F2N3O2 and a molecular weight of 273.28 g/mol. Its IUPAC name is N-(2,2-difluoroethyl)-3-ethyl-N-(2-hydroxyethyl)-6-methylpyridazine-4-carboxamide.

Molecular Properties

Compound NameN-(2,2-difluoroethyl)-3-ethyl-N-(2-hydroxyethyl)-6-methylpyridazine-4-carboxamide
PubChem CID107482520
Molecular FormulaC12H17F2N3O2
Molecular Weight273.28 g/mol
Exact Mass273.13
IUPAC NameN-(2,2-difluoroethyl)-3-ethyl-N-(2-hydroxyethyl)-6-methylpyridazine-4-carboxamide
SMILESCCc1nnc(C)cc1C(=O)N(CCO)CC(F)F
InChIInChI=1S/C12H17F2N3O2/c1-3-10-9(6-8(2)15-16-10)12(19)17(4-5-18)7-11(13)14/h6,11,18H,3-5,7H2,1-2H3
InChIKeyFFNILNLEEMICGK-UHFFFAOYSA-N
XLogP1.05
TPSA66.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.28
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(2,2-difluoroethyl)-3-ethyl-N-(2-hydroxyethyl)-6-methylpyridazine-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-(2,2-difluoroethyl)-3-ethyl-N-(2-hydroxyethyl)-6-methylpyridazine-4-carboxamide?
The IUPAC name of N-(2,2-difluoroethyl)-3-ethyl-N-(2-hydroxyethyl)-6-methylpyridazine-4-carboxamide (CID 107482520) is N-(2,2-difluoroethyl)-3-ethyl-N-(2-hydroxyethyl)-6-methylpyridazine-4-carboxamide.
What is the SMILES notation for N-(2,2-difluoroethyl)-3-ethyl-N-(2-hydroxyethyl)-6-methylpyridazine-4-carboxamide?
The canonical SMILES for N-(2,2-difluoroethyl)-3-ethyl-N-(2-hydroxyethyl)-6-methylpyridazine-4-carboxamide is CCc1nnc(C)cc1C(=O)N(CCO)CC(F)F.
What is the InChIKey of N-(2,2-difluoroethyl)-3-ethyl-N-(2-hydroxyethyl)-6-methylpyridazine-4-carboxamide?
The InChIKey is FFNILNLEEMICGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F2N3O2/c1-3-10-9(6-8(2)15-16-10)12(19)17(4-5-18)7-11(13)14/h6,11,18H,3-5,7H2,1-2H3.
What are the key properties of N-(2,2-difluoroethyl)-3-ethyl-N-(2-hydroxyethyl)-6-methylpyridazine-4-carboxamide?
N-(2,2-difluoroethyl)-3-ethyl-N-(2-hydroxyethyl)-6-methylpyridazine-4-carboxamide has a molecular weight of 273.28 g/mol, XLogP of 1.05, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-difluoroethyl)-3-ethyl-N-(2-hydroxyethyl)-6-methylpyridazine-4-carboxamide is sourced from PubChem (CID 107482520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).