N-benzyl-6-[5-bromo-3-(trifluoromethyl)-1,2,4-triazol-1-yl]pyridazine-3-carboxamide

C15H10BrF3N6O — CID 177237406

IUPACN-benzyl-6-[5-bromo-3-(trifluoromethyl)-1,2,4-triazol-1-yl]pyridazine-3-carboxamide
SMILESO=C(NCc1ccccc1)c1ccc(-n2nc(C(F)(F)F)nc2Br)nn1
InChIInChI=1S/C15H10BrF3N6O/c16-14-21-13(15(17,18)19)24-25(14)11-7-6-10(22-23-11)12(26)20-8-9-4-2-1-3-5-9/h1-7H,8H2,(H,20,26)
InChIKeyUBOMZVYXVJXERK-UHFFFAOYSA-N
MW427.18 g/mol
LogP2.77
Rot. Bonds4

About N-benzyl-6-[5-bromo-3-(trifluoromethyl)-1,2,4-triazol-1-yl]pyridazine-3-carboxamide

N-benzyl-6-[5-bromo-3-(trifluoromethyl)-1,2,4-triazol-1-yl]pyridazine-3-carboxamide (PubChem CID 177237406) has the molecular formula C15H10BrF3N6O and a molecular weight of 427.18 g/mol. Its IUPAC name is N-benzyl-6-[5-bromo-3-(trifluoromethyl)-1,2,4-triazol-1-yl]pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-benzyl-6-[5-bromo-3-(trifluoromethyl)-1,2,4-triazol-1-yl]pyridazine-3-carboxamide
PubChem CID177237406
Molecular FormulaC15H10BrF3N6O
Molecular Weight427.18 g/mol
Exact Mass426.01
IUPAC NameN-benzyl-6-[5-bromo-3-(trifluoromethyl)-1,2,4-triazol-1-yl]pyridazine-3-carboxamide
SMILESO=C(NCc1ccccc1)c1ccc(-n2nc(C(F)(F)F)nc2Br)nn1
InChIInChI=1S/C15H10BrF3N6O/c16-14-21-13(15(17,18)19)24-25(14)11-7-6-10(22-23-11)12(26)20-8-9-4-2-1-3-5-9/h1-7H,8H2,(H,20,26)
InChIKeyUBOMZVYXVJXERK-UHFFFAOYSA-N
XLogP2.77
TPSA85.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.18
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

6-[5-amino-3-(trifluoromethyl)-1,2,4-triazol-1-yl]-N-benzylpyridazine-4-carboxamide
CID 177237600
6-(4-acetylpiperazin-1-yl)-N-benzylpyridazine-3-carboxamide
CID 109117077
6-(4-benzylpiperidin-1-yl)-N-[(4-fluorophenyl)methyl]pyridazine-3-carboxamide
CID 121028384
N-benzyl-6-(3-methylpiperidin-1-yl)pyridazine-3-carboxamide
CID 109117891
6-(1,2,4-triazol-1-yl)-N-[[4-(trifluoromethoxy)phenyl]methyl]pyridazine-3-carboxamide
CID 71805186
6-imidazol-1-yl-N-[(4-methylphenyl)methyl]pyridazine-3-carboxamide
CID 121114057
[4-[2-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]phenyl]methylcarbamic acid
CID 129139581
N-benzyl-5-pyridin-4-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 67132884
6-(3,4-dihydro-1H-isoquinolin-2-yl)-N-[(4-fluorophenyl)methyl]pyridazine-3-carboxamide
CID 109119535
6-[4-(2-fluorophenyl)piperazin-1-yl]-N-(pyridin-4-ylmethyl)pyridazine-3-carboxamide
CID 109121392
N-[(4-fluorophenyl)methyl]-6-[3-[2-(trifluoromethyl)benzoyl]-1,3-diazinan-1-yl]pyridazine-3-carboxamide
CID 143445194
6-(3,4-dihydro-2H-quinolin-1-yl)-N-(pyridin-4-ylmethyl)pyridazine-3-carboxamide
CID 109121417

Frequently Asked Questions

What is the IUPAC name of N-benzyl-6-[5-bromo-3-(trifluoromethyl)-1,2,4-triazol-1-yl]pyridazine-3-carboxamide?
The IUPAC name of N-benzyl-6-[5-bromo-3-(trifluoromethyl)-1,2,4-triazol-1-yl]pyridazine-3-carboxamide (CID 177237406) is N-benzyl-6-[5-bromo-3-(trifluoromethyl)-1,2,4-triazol-1-yl]pyridazine-3-carboxamide.
What is the SMILES notation for N-benzyl-6-[5-bromo-3-(trifluoromethyl)-1,2,4-triazol-1-yl]pyridazine-3-carboxamide?
The canonical SMILES for N-benzyl-6-[5-bromo-3-(trifluoromethyl)-1,2,4-triazol-1-yl]pyridazine-3-carboxamide is O=C(NCc1ccccc1)c1ccc(-n2nc(C(F)(F)F)nc2Br)nn1.
What is the InChIKey of N-benzyl-6-[5-bromo-3-(trifluoromethyl)-1,2,4-triazol-1-yl]pyridazine-3-carboxamide?
The InChIKey is UBOMZVYXVJXERK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10BrF3N6O/c16-14-21-13(15(17,18)19)24-25(14)11-7-6-10(22-23-11)12(26)20-8-9-4-2-1-3-5-9/h1-7H,8H2,(H,20,26).
What are the key properties of N-benzyl-6-[5-bromo-3-(trifluoromethyl)-1,2,4-triazol-1-yl]pyridazine-3-carboxamide?
N-benzyl-6-[5-bromo-3-(trifluoromethyl)-1,2,4-triazol-1-yl]pyridazine-3-carboxamide has a molecular weight of 427.18 g/mol, XLogP of 2.77, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-6-[5-bromo-3-(trifluoromethyl)-1,2,4-triazol-1-yl]pyridazine-3-carboxamide is sourced from PubChem (CID 177237406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).