6-(1,2,4-triazol-1-yl)-N-[[4-(trifluoromethoxy)phenyl]methyl]pyridazine-3-carboxamide

C15H11F3N6O2 — CID 71805186

IUPAC6-(1,2,4-triazol-1-yl)-N-[[4-(trifluoromethoxy)phenyl]methyl]pyridazine-3-carboxamide
SMILESO=C(NCc1ccc(OC(F)(F)F)cc1)c1ccc(-n2cncn2)nn1
InChIInChI=1S/C15H11F3N6O2/c16-15(17,18)26-11-3-1-10(2-4-11)7-20-14(25)12-5-6-13(23-22-12)24-9-19-8-21-24/h1-6,8-9H,7H2,(H,20,25)
InChIKeyFAUDBSRNXMSOCJ-UHFFFAOYSA-N
MW364.29 g/mol
LogP1.89
Rot. Bonds5

About 6-(1,2,4-triazol-1-yl)-N-[[4-(trifluoromethoxy)phenyl]methyl]pyridazine-3-carboxamide

6-(1,2,4-triazol-1-yl)-N-[[4-(trifluoromethoxy)phenyl]methyl]pyridazine-3-carboxamide (PubChem CID 71805186) has the molecular formula C15H11F3N6O2 and a molecular weight of 364.29 g/mol. Its IUPAC name is 6-(1,2,4-triazol-1-yl)-N-[[4-(trifluoromethoxy)phenyl]methyl]pyridazine-3-carboxamide.

Molecular Properties

Compound Name6-(1,2,4-triazol-1-yl)-N-[[4-(trifluoromethoxy)phenyl]methyl]pyridazine-3-carboxamide
PubChem CID71805186
Molecular FormulaC15H11F3N6O2
Molecular Weight364.29 g/mol
Exact Mass364.09
IUPAC Name6-(1,2,4-triazol-1-yl)-N-[[4-(trifluoromethoxy)phenyl]methyl]pyridazine-3-carboxamide
SMILESO=C(NCc1ccc(OC(F)(F)F)cc1)c1ccc(-n2cncn2)nn1
InChIInChI=1S/C15H11F3N6O2/c16-15(17,18)26-11-3-1-10(2-4-11)7-20-14(25)12-5-6-13(23-22-12)24-9-19-8-21-24/h1-6,8-9H,7H2,(H,20,25)
InChIKeyFAUDBSRNXMSOCJ-UHFFFAOYSA-N
XLogP1.89
TPSA94.82 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.29
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

1-[6-(1,2,4-triazol-1-yl)pyrimidin-4-yl]-N-[[4-(trifluoromethoxy)phenyl]methyl]piperidine-4-carboxamide
CID 90600518
N-[[4-(trifluoromethoxy)phenyl]methyl]pyrazine-2-carboxamide
CID 37039688
1-[6-(1,2,4-triazol-1-yl)pyridazin-3-yl]-N-[4-(trifluoromethoxy)phenyl]piperidine-4-carboxamide
CID 90601636
1-(2-methoxyethyl)-6-oxo-N-[[4-(trifluoromethoxy)phenyl]methyl]pyridazine-3-carboxamide
CID 17396464
4-(1,2,4-triazol-1-yl)-N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]benzamide
CID 18286168
N-[(6-phenylpyrimidin-4-yl)methyl]-6-(1,2,4-triazol-1-yl)pyridazine-3-carboxamide
CID 122262082
2-[4-(trifluoromethoxy)phenyl]-N-[[4-(trifluoromethoxy)phenyl]methyl]acetamide
CID 112829044
N-[[4-(4-fluorophenoxy)phenyl]methyl]-4-(1,2,4-triazol-1-yl)benzamide
CID 24535888
4-bromo-N-[[4-(trifluoromethoxy)phenyl]methyl]-1H-pyrrole-2-carboxamide
CID 37039903
N-[3-(1,2,4-triazol-1-yl)propyl]-2-[4-(trifluoromethoxy)phenyl]acetamide
CID 47040841
N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]-2-[4-(trifluoromethoxy)phenyl]acetamide
CID 55741373
N-(5-methyl-1,3-thiazol-2-yl)-6-(1,2,4-triazol-1-yl)pyridazine-3-carboxamide
CID 71805184

Frequently Asked Questions

What is the IUPAC name of 6-(1,2,4-triazol-1-yl)-N-[[4-(trifluoromethoxy)phenyl]methyl]pyridazine-3-carboxamide?
The IUPAC name of 6-(1,2,4-triazol-1-yl)-N-[[4-(trifluoromethoxy)phenyl]methyl]pyridazine-3-carboxamide (CID 71805186) is 6-(1,2,4-triazol-1-yl)-N-[[4-(trifluoromethoxy)phenyl]methyl]pyridazine-3-carboxamide.
What is the SMILES notation for 6-(1,2,4-triazol-1-yl)-N-[[4-(trifluoromethoxy)phenyl]methyl]pyridazine-3-carboxamide?
The canonical SMILES for 6-(1,2,4-triazol-1-yl)-N-[[4-(trifluoromethoxy)phenyl]methyl]pyridazine-3-carboxamide is O=C(NCc1ccc(OC(F)(F)F)cc1)c1ccc(-n2cncn2)nn1.
What is the InChIKey of 6-(1,2,4-triazol-1-yl)-N-[[4-(trifluoromethoxy)phenyl]methyl]pyridazine-3-carboxamide?
The InChIKey is FAUDBSRNXMSOCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11F3N6O2/c16-15(17,18)26-11-3-1-10(2-4-11)7-20-14(25)12-5-6-13(23-22-12)24-9-19-8-21-24/h1-6,8-9H,7H2,(H,20,25).
What are the key properties of 6-(1,2,4-triazol-1-yl)-N-[[4-(trifluoromethoxy)phenyl]methyl]pyridazine-3-carboxamide?
6-(1,2,4-triazol-1-yl)-N-[[4-(trifluoromethoxy)phenyl]methyl]pyridazine-3-carboxamide has a molecular weight of 364.29 g/mol, XLogP of 1.89, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1,2,4-triazol-1-yl)-N-[[4-(trifluoromethoxy)phenyl]methyl]pyridazine-3-carboxamide is sourced from PubChem (CID 71805186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).