1-methyl-6-oxo-N-[2-(trifluoromethyl)cyclohexyl]pyridazine-3-carboxamide

C13H16F3N3O2 — CID 43046782

IUPAC1-methyl-6-oxo-N-[2-(trifluoromethyl)cyclohexyl]pyridazine-3-carboxamide
SMILESCn1nc(C(=O)NC2CCCCC2C(F)(F)F)ccc1=O
InChIInChI=1S/C13H16F3N3O2/c1-19-11(20)7-6-10(18-19)12(21)17-9-5-3-2-4-8(9)13(14,15)16/h6-9H,2-5H2,1H3,(H,17,21)
InChIKeyKEOHDTFPMVJLNB-UHFFFAOYSA-N
MW303.28 g/mol
LogP1.63
Rot. Bonds2

About 1-methyl-6-oxo-N-[2-(trifluoromethyl)cyclohexyl]pyridazine-3-carboxamide

1-methyl-6-oxo-N-[2-(trifluoromethyl)cyclohexyl]pyridazine-3-carboxamide (PubChem CID 43046782) has the molecular formula C13H16F3N3O2 and a molecular weight of 303.28 g/mol. Its IUPAC name is 1-methyl-6-oxo-N-[2-(trifluoromethyl)cyclohexyl]pyridazine-3-carboxamide.

Molecular Properties

Compound Name1-methyl-6-oxo-N-[2-(trifluoromethyl)cyclohexyl]pyridazine-3-carboxamide
PubChem CID43046782
Molecular FormulaC13H16F3N3O2
Molecular Weight303.28 g/mol
Exact Mass303.12
IUPAC Name1-methyl-6-oxo-N-[2-(trifluoromethyl)cyclohexyl]pyridazine-3-carboxamide
SMILESCn1nc(C(=O)NC2CCCCC2C(F)(F)F)ccc1=O
InChIInChI=1S/C13H16F3N3O2/c1-19-11(20)7-6-10(18-19)12(21)17-9-5-3-2-4-8(9)13(14,15)16/h6-9H,2-5H2,1H3,(H,17,21)
InChIKeyKEOHDTFPMVJLNB-UHFFFAOYSA-N
XLogP1.63
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.28
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-methyl-6-oxo-N-[2-(trifluoromethyl)cyclohexyl]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

Frequently Asked Questions

What is the IUPAC name of 1-methyl-6-oxo-N-[2-(trifluoromethyl)cyclohexyl]pyridazine-3-carboxamide?
The IUPAC name of 1-methyl-6-oxo-N-[2-(trifluoromethyl)cyclohexyl]pyridazine-3-carboxamide (CID 43046782) is 1-methyl-6-oxo-N-[2-(trifluoromethyl)cyclohexyl]pyridazine-3-carboxamide.
What is the SMILES notation for 1-methyl-6-oxo-N-[2-(trifluoromethyl)cyclohexyl]pyridazine-3-carboxamide?
The canonical SMILES for 1-methyl-6-oxo-N-[2-(trifluoromethyl)cyclohexyl]pyridazine-3-carboxamide is Cn1nc(C(=O)NC2CCCCC2C(F)(F)F)ccc1=O.
What is the InChIKey of 1-methyl-6-oxo-N-[2-(trifluoromethyl)cyclohexyl]pyridazine-3-carboxamide?
The InChIKey is KEOHDTFPMVJLNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F3N3O2/c1-19-11(20)7-6-10(18-19)12(21)17-9-5-3-2-4-8(9)13(14,15)16/h6-9H,2-5H2,1H3,(H,17,21).
What are the key properties of 1-methyl-6-oxo-N-[2-(trifluoromethyl)cyclohexyl]pyridazine-3-carboxamide?
1-methyl-6-oxo-N-[2-(trifluoromethyl)cyclohexyl]pyridazine-3-carboxamide has a molecular weight of 303.28 g/mol, XLogP of 1.63, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-6-oxo-N-[2-(trifluoromethyl)cyclohexyl]pyridazine-3-carboxamide is sourced from PubChem (CID 43046782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).