6-oxo-N-[3-(2,2,2-trifluoroethoxy)cyclohexyl]-1H-pyridazine-3-carboxamide

C13H16F3N3O3 — CID 42957235

IUPAC6-oxo-N-[3-(2,2,2-trifluoroethoxy)cyclohexyl]-1H-pyridazine-3-carboxamide
SMILESO=C(NC1CCCC(OCC(F)(F)F)C1)c1ccc(=O)[nH]n1
InChIInChI=1S/C13H16F3N3O3/c14-13(15,16)7-22-9-3-1-2-8(6-9)17-12(21)10-4-5-11(20)19-18-10/h4-5,8-9H,1-3,6-7H2,(H,17,21)(H,19,20)
InChIKeyZQCMEXTVRGZKHM-UHFFFAOYSA-N
MW319.28 g/mol
LogP1.39
Rot. Bonds4

About 6-oxo-N-[3-(2,2,2-trifluoroethoxy)cyclohexyl]-1H-pyridazine-3-carboxamide

6-oxo-N-[3-(2,2,2-trifluoroethoxy)cyclohexyl]-1H-pyridazine-3-carboxamide (PubChem CID 42957235) has the molecular formula C13H16F3N3O3 and a molecular weight of 319.28 g/mol. Its IUPAC name is 6-oxo-N-[3-(2,2,2-trifluoroethoxy)cyclohexyl]-1H-pyridazine-3-carboxamide.

Molecular Properties

Compound Name6-oxo-N-[3-(2,2,2-trifluoroethoxy)cyclohexyl]-1H-pyridazine-3-carboxamide
PubChem CID42957235
Molecular FormulaC13H16F3N3O3
Molecular Weight319.28 g/mol
Exact Mass319.11
IUPAC Name6-oxo-N-[3-(2,2,2-trifluoroethoxy)cyclohexyl]-1H-pyridazine-3-carboxamide
SMILESO=C(NC1CCCC(OCC(F)(F)F)C1)c1ccc(=O)[nH]n1
InChIInChI=1S/C13H16F3N3O3/c14-13(15,16)7-22-9-3-1-2-8(6-9)17-12(21)10-4-5-11(20)19-18-10/h4-5,8-9H,1-3,6-7H2,(H,17,21)(H,19,20)
InChIKeyZQCMEXTVRGZKHM-UHFFFAOYSA-N
XLogP1.39
TPSA84.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.28
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 6-oxo-N-[3-(2,2,2-trifluoroethoxy)cyclohexyl]-1H-pyridazine-3-carboxamide with MolForge

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

Launch Full Analysis

Related Compounds

2-bromo-N-[3-(2,2,2-trifluoroethoxy)cyclohexyl]acetamide
CID 63681193
2,2,2-trifluoroethyl N-[3-(2,2,2-trifluoroethoxy)cyclohexyl]carbamate
CID 65173974
6-oxo-N-(4-pyrimidin-2-yloxycyclohexyl)-1H-pyridazine-3-carboxamide
CID 90633191
5-oxo-N-[3-(2,2,2-trifluoroethoxy)cyclohexyl]pyrrolidine-3-carboxamide
CID 78982699
2-methyl-2-(methylamino)-N-[3-(2,2,2-trifluoroethoxy)cyclohexyl]propanamide
CID 62836042
N-cyclopent-3-en-1-yl-6-oxo-1H-pyridazine-3-carboxamide
CID 103762323
6-morpholin-4-yl-N-[(1R,3R)-3-(2,2,2-trifluoroethoxy)cyclohexyl]pyridine-3-carboxamide
CID 39620759
3-chloro-N-[3-(2,2,2-trifluoroethoxy)cyclohexyl]propanamide
CID 43696429
2-amino-N-[3-(2,2,2-trifluoroethoxy)cyclohexyl]propanamide
CID 43698425
1-(4-methoxyphenyl)-3-[(1S,3R)-3-(2,2,2-trifluoroethoxy)cyclohexyl]urea
CID 38885386
N-(1,1-dioxothian-4-yl)-6-oxo-1H-pyridazine-3-carboxamide
CID 113223754
1-cyclopropyl-2,4-dioxo-N-[(1S,3R)-3-(2,2,2-trifluoroethoxy)cyclohexyl]pyrido[2,3-d]pyrimidine-6-carboxamide
CID 39618851

Frequently Asked Questions

What is the IUPAC name of 6-oxo-N-[3-(2,2,2-trifluoroethoxy)cyclohexyl]-1H-pyridazine-3-carboxamide?
The IUPAC name of 6-oxo-N-[3-(2,2,2-trifluoroethoxy)cyclohexyl]-1H-pyridazine-3-carboxamide (CID 42957235) is 6-oxo-N-[3-(2,2,2-trifluoroethoxy)cyclohexyl]-1H-pyridazine-3-carboxamide.
What is the SMILES notation for 6-oxo-N-[3-(2,2,2-trifluoroethoxy)cyclohexyl]-1H-pyridazine-3-carboxamide?
The canonical SMILES for 6-oxo-N-[3-(2,2,2-trifluoroethoxy)cyclohexyl]-1H-pyridazine-3-carboxamide is O=C(NC1CCCC(OCC(F)(F)F)C1)c1ccc(=O)[nH]n1.
What is the InChIKey of 6-oxo-N-[3-(2,2,2-trifluoroethoxy)cyclohexyl]-1H-pyridazine-3-carboxamide?
The InChIKey is ZQCMEXTVRGZKHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F3N3O3/c14-13(15,16)7-22-9-3-1-2-8(6-9)17-12(21)10-4-5-11(20)19-18-10/h4-5,8-9H,1-3,6-7H2,(H,17,21)(H,19,20).
What are the key properties of 6-oxo-N-[3-(2,2,2-trifluoroethoxy)cyclohexyl]-1H-pyridazine-3-carboxamide?
6-oxo-N-[3-(2,2,2-trifluoroethoxy)cyclohexyl]-1H-pyridazine-3-carboxamide has a molecular weight of 319.28 g/mol, XLogP of 1.39, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-oxo-N-[3-(2,2,2-trifluoroethoxy)cyclohexyl]-1H-pyridazine-3-carboxamide is sourced from PubChem (CID 42957235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).