6-oxo-N-[[6-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]-4,5-dihydro-1H-pyridazine-3-carboxamide

C13H15F3N6O2 — CID 121022018

IUPAC6-oxo-N-[[6-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]-4,5-dihydro-1H-pyridazine-3-carboxamide
SMILESO=C1CCC(C(=O)NCc2nnc3n2CC(C(F)(F)F)CC3)=NN1
InChIInChI=1S/C13H15F3N6O2/c14-13(15,16)7-1-3-9-19-20-10(22(9)6-7)5-17-12(24)8-2-4-11(23)21-18-8/h7H,1-6H2,(H,17,24)(H,21,23)
InChIKeyUCKDFIWJCHXKGZ-UHFFFAOYSA-N
MW344.30 g/mol
LogP0.28
Rot. Bonds3

About 6-oxo-N-[[6-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]-4,5-dihydro-1H-pyridazine-3-carboxamide

6-oxo-N-[[6-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]-4,5-dihydro-1H-pyridazine-3-carboxamide (PubChem CID 121022018) has the molecular formula C13H15F3N6O2 and a molecular weight of 344.30 g/mol. Its IUPAC name is 6-oxo-N-[[6-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]-4,5-dihydro-1H-pyridazine-3-carboxamide.

Molecular Properties

Compound Name6-oxo-N-[[6-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]-4,5-dihydro-1H-pyridazine-3-carboxamide
PubChem CID121022018
Molecular FormulaC13H15F3N6O2
Molecular Weight344.30 g/mol
Exact Mass344.12
IUPAC Name6-oxo-N-[[6-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]-4,5-dihydro-1H-pyridazine-3-carboxamide
SMILESO=C1CCC(C(=O)NCc2nnc3n2CC(C(F)(F)F)CC3)=NN1
InChIInChI=1S/C13H15F3N6O2/c14-13(15,16)7-1-3-9-19-20-10(22(9)6-7)5-17-12(24)8-2-4-11(23)21-18-8/h7H,1-6H2,(H,17,24)(H,21,23)
InChIKeyUCKDFIWJCHXKGZ-UHFFFAOYSA-N
XLogP0.28
TPSA101.27 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.30
LogP ≤ 50.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 6-oxo-N-[[6-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]-4,5-dihydro-1H-pyridazine-3-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-oxo-N-[[6-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]-4,5-dihydro-1H-pyridazine-3-carboxamide?
The IUPAC name of 6-oxo-N-[[6-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]-4,5-dihydro-1H-pyridazine-3-carboxamide (CID 121022018) is 6-oxo-N-[[6-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]-4,5-dihydro-1H-pyridazine-3-carboxamide.
What is the SMILES notation for 6-oxo-N-[[6-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]-4,5-dihydro-1H-pyridazine-3-carboxamide?
The canonical SMILES for 6-oxo-N-[[6-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]-4,5-dihydro-1H-pyridazine-3-carboxamide is O=C1CCC(C(=O)NCc2nnc3n2CC(C(F)(F)F)CC3)=NN1.
What is the InChIKey of 6-oxo-N-[[6-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]-4,5-dihydro-1H-pyridazine-3-carboxamide?
The InChIKey is UCKDFIWJCHXKGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F3N6O2/c14-13(15,16)7-1-3-9-19-20-10(22(9)6-7)5-17-12(24)8-2-4-11(23)21-18-8/h7H,1-6H2,(H,17,24)(H,21,23).
What are the key properties of 6-oxo-N-[[6-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]-4,5-dihydro-1H-pyridazine-3-carboxamide?
6-oxo-N-[[6-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]-4,5-dihydro-1H-pyridazine-3-carboxamide has a molecular weight of 344.30 g/mol, XLogP of 0.28, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-oxo-N-[[6-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]-4,5-dihydro-1H-pyridazine-3-carboxamide is sourced from PubChem (CID 121022018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).