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

C15H11F3N6O2 — CID 71805125

IUPACN-[2-methoxy-5-(trifluoromethyl)phenyl]-6-(1,2,4-triazol-1-yl)pyridazine-3-carboxamide
SMILESCOc1ccc(C(F)(F)F)cc1NC(=O)c1ccc(-n2cncn2)nn1
InChIInChI=1S/C15H11F3N6O2/c1-26-12-4-2-9(15(16,17)18)6-11(12)21-14(25)10-3-5-13(23-22-10)24-8-19-7-20-24/h2-8H,1H3,(H,21,25)
InChIKeyBAFWYEZMCNPPKT-UHFFFAOYSA-N
MW364.29 g/mol
LogP2.34
Rot. Bonds4

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

N-[2-methoxy-5-(trifluoromethyl)phenyl]-6-(1,2,4-triazol-1-yl)pyridazine-3-carboxamide (PubChem CID 71805125) has the molecular formula C15H11F3N6O2 and a molecular weight of 364.29 g/mol. Its IUPAC name is N-[2-methoxy-5-(trifluoromethyl)phenyl]-6-(1,2,4-triazol-1-yl)pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-[2-methoxy-5-(trifluoromethyl)phenyl]-6-(1,2,4-triazol-1-yl)pyridazine-3-carboxamide
PubChem CID71805125
Molecular FormulaC15H11F3N6O2
Molecular Weight364.29 g/mol
Exact Mass364.09
IUPAC NameN-[2-methoxy-5-(trifluoromethyl)phenyl]-6-(1,2,4-triazol-1-yl)pyridazine-3-carboxamide
SMILESCOc1ccc(C(F)(F)F)cc1NC(=O)c1ccc(-n2cncn2)nn1
InChIInChI=1S/C15H11F3N6O2/c1-26-12-4-2-9(15(16,17)18)6-11(12)21-14(25)10-3-5-13(23-22-10)24-8-19-7-20-24/h2-8H,1H3,(H,21,25)
InChIKeyBAFWYEZMCNPPKT-UHFFFAOYSA-N
XLogP2.34
TPSA94.82 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.29
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[2-methoxy-5-(trifluoromethyl)phenyl]-6-(1,2,4-triazol-1-yl)pyridazine-3-carboxamide?
The IUPAC name of N-[2-methoxy-5-(trifluoromethyl)phenyl]-6-(1,2,4-triazol-1-yl)pyridazine-3-carboxamide (CID 71805125) is N-[2-methoxy-5-(trifluoromethyl)phenyl]-6-(1,2,4-triazol-1-yl)pyridazine-3-carboxamide.
What is the SMILES notation for N-[2-methoxy-5-(trifluoromethyl)phenyl]-6-(1,2,4-triazol-1-yl)pyridazine-3-carboxamide?
The canonical SMILES for N-[2-methoxy-5-(trifluoromethyl)phenyl]-6-(1,2,4-triazol-1-yl)pyridazine-3-carboxamide is COc1ccc(C(F)(F)F)cc1NC(=O)c1ccc(-n2cncn2)nn1.
What is the InChIKey of N-[2-methoxy-5-(trifluoromethyl)phenyl]-6-(1,2,4-triazol-1-yl)pyridazine-3-carboxamide?
The InChIKey is BAFWYEZMCNPPKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11F3N6O2/c1-26-12-4-2-9(15(16,17)18)6-11(12)21-14(25)10-3-5-13(23-22-10)24-8-19-7-20-24/h2-8H,1H3,(H,21,25).
What are the key properties of N-[2-methoxy-5-(trifluoromethyl)phenyl]-6-(1,2,4-triazol-1-yl)pyridazine-3-carboxamide?
N-[2-methoxy-5-(trifluoromethyl)phenyl]-6-(1,2,4-triazol-1-yl)pyridazine-3-carboxamide has a molecular weight of 364.29 g/mol, XLogP of 2.34, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methoxy-5-(trifluoromethyl)phenyl]-6-(1,2,4-triazol-1-yl)pyridazine-3-carboxamide is sourced from PubChem (CID 71805125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).