2-imidazol-1-yl-N-pyridazin-4-yl-6-(trifluoromethyl)pyrimidine-4-carboxamide

C13H8F3N7O — CID 170774253

IUPAC2-imidazol-1-yl-N-pyridazin-4-yl-6-(trifluoromethyl)pyrimidine-4-carboxamide
SMILESO=C(Nc1ccnnc1)c1cc(C(F)(F)F)nc(-n2ccnc2)n1
InChIInChI=1S/C13H8F3N7O/c14-13(15,16)10-5-9(11(24)20-8-1-2-18-19-6-8)21-12(22-10)23-4-3-17-7-23/h1-7H,(H,18,20,24)
InChIKeyNUKOYJOYLNOHQH-UHFFFAOYSA-N
MW335.25 g/mol
LogP1.72
Rot. Bonds3

About 2-imidazol-1-yl-N-pyridazin-4-yl-6-(trifluoromethyl)pyrimidine-4-carboxamide

2-imidazol-1-yl-N-pyridazin-4-yl-6-(trifluoromethyl)pyrimidine-4-carboxamide (PubChem CID 170774253) has the molecular formula C13H8F3N7O and a molecular weight of 335.25 g/mol. Its IUPAC name is 2-imidazol-1-yl-N-pyridazin-4-yl-6-(trifluoromethyl)pyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-imidazol-1-yl-N-pyridazin-4-yl-6-(trifluoromethyl)pyrimidine-4-carboxamide
PubChem CID170774253
Molecular FormulaC13H8F3N7O
Molecular Weight335.25 g/mol
Exact Mass335.07
IUPAC Name2-imidazol-1-yl-N-pyridazin-4-yl-6-(trifluoromethyl)pyrimidine-4-carboxamide
SMILESO=C(Nc1ccnnc1)c1cc(C(F)(F)F)nc(-n2ccnc2)n1
InChIInChI=1S/C13H8F3N7O/c14-13(15,16)10-5-9(11(24)20-8-1-2-18-19-6-8)21-12(22-10)23-4-3-17-7-23/h1-7H,(H,18,20,24)
InChIKeyNUKOYJOYLNOHQH-UHFFFAOYSA-N
XLogP1.72
TPSA98.48 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.25
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-imidazol-1-yl-N-pyridazin-4-yl-6-(trifluoromethyl)pyrimidine-4-carboxamide?
The IUPAC name of 2-imidazol-1-yl-N-pyridazin-4-yl-6-(trifluoromethyl)pyrimidine-4-carboxamide (CID 170774253) is 2-imidazol-1-yl-N-pyridazin-4-yl-6-(trifluoromethyl)pyrimidine-4-carboxamide.
What is the SMILES notation for 2-imidazol-1-yl-N-pyridazin-4-yl-6-(trifluoromethyl)pyrimidine-4-carboxamide?
The canonical SMILES for 2-imidazol-1-yl-N-pyridazin-4-yl-6-(trifluoromethyl)pyrimidine-4-carboxamide is O=C(Nc1ccnnc1)c1cc(C(F)(F)F)nc(-n2ccnc2)n1.
What is the InChIKey of 2-imidazol-1-yl-N-pyridazin-4-yl-6-(trifluoromethyl)pyrimidine-4-carboxamide?
The InChIKey is NUKOYJOYLNOHQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8F3N7O/c14-13(15,16)10-5-9(11(24)20-8-1-2-18-19-6-8)21-12(22-10)23-4-3-17-7-23/h1-7H,(H,18,20,24).
What are the key properties of 2-imidazol-1-yl-N-pyridazin-4-yl-6-(trifluoromethyl)pyrimidine-4-carboxamide?
2-imidazol-1-yl-N-pyridazin-4-yl-6-(trifluoromethyl)pyrimidine-4-carboxamide has a molecular weight of 335.25 g/mol, XLogP of 1.72, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-imidazol-1-yl-N-pyridazin-4-yl-6-(trifluoromethyl)pyrimidine-4-carboxamide is sourced from PubChem (CID 170774253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).