N-pyridazin-4-yl-2-(trifluoromethyl)pyrimidine-4-carboxamide

C10H6F3N5O — CID 53493105

IUPACN-pyridazin-4-yl-2-(trifluoromethyl)pyrimidine-4-carboxamide
SMILESO=C(Nc1ccnnc1)c1ccnc(C(F)(F)F)n1
InChIInChI=1S/C10H6F3N5O/c11-10(12,13)9-14-3-2-7(18-9)8(19)17-6-1-4-15-16-5-6/h1-5H,(H,15,17,19)
InChIKeyBFYPOUCSXZPMNV-UHFFFAOYSA-N
MW269.19 g/mol
LogP1.54
Rot. Bonds2

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

N-pyridazin-4-yl-2-(trifluoromethyl)pyrimidine-4-carboxamide (PubChem CID 53493105) has the molecular formula C10H6F3N5O and a molecular weight of 269.19 g/mol. Its IUPAC name is N-pyridazin-4-yl-2-(trifluoromethyl)pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-pyridazin-4-yl-2-(trifluoromethyl)pyrimidine-4-carboxamide
PubChem CID53493105
Molecular FormulaC10H6F3N5O
Molecular Weight269.19 g/mol
Exact Mass269.05
IUPAC NameN-pyridazin-4-yl-2-(trifluoromethyl)pyrimidine-4-carboxamide
SMILESO=C(Nc1ccnnc1)c1ccnc(C(F)(F)F)n1
InChIInChI=1S/C10H6F3N5O/c11-10(12,13)9-14-3-2-7(18-9)8(19)17-6-1-4-15-16-5-6/h1-5H,(H,15,17,19)
InChIKeyBFYPOUCSXZPMNV-UHFFFAOYSA-N
XLogP1.54
TPSA80.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.19
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-pyridazin-4-yl-3-(trifluoromethyl)-1,2,4-thiadiazole-5-carboxamide
CID 53467350
N-pyridazin-4-ylquinoline-2-carboxamide
CID 175846718
N-(3-ethyl-5-methyl-1,2-oxazol-4-yl)-2-(trifluoromethyl)pyrimidine-4-carboxamide
CID 166309336
2-bromo-1-[2-(trifluoromethyl)pyrimidin-4-yl]ethanone
CID 90100058
N,N-dimethyl-2-(trifluoromethyl)pyrimidine-4-carboxamide
CID 143232156
2,4-dimethyl-N-pyridazin-4-ylpyrimidine-5-carboxamide
CID 53492857
2-pyrrolidin-1-yl-N-[4-(trifluoromethyl)phenyl]pyrimidine-4-carboxamide
CID 109297598
2-methyl-N-[3-(trifluoromethyl)phenyl]pyrimidine-4-carboxamide
CID 47255196
2-chloro-N-pyridin-3-ylpyrimidine-4-carboxamide;fluoromethane
CID 142362008
3-chloro-N-pyridazin-4-yl-5-[4-(trifluoromethoxy)phenoxy]-2-(trifluoromethyl)pyridine-4-carboxamide
CID 167320443
2-anilino-N-[4-(trifluoromethyl)phenyl]pyrimidine-4-carboxamide
CID 109313447
5-phenyl-N-pyridazin-4-yl-1,2-oxazole-3-carboxamide
CID 154876265

Frequently Asked Questions

What is the IUPAC name of N-pyridazin-4-yl-2-(trifluoromethyl)pyrimidine-4-carboxamide?
The IUPAC name of N-pyridazin-4-yl-2-(trifluoromethyl)pyrimidine-4-carboxamide (CID 53493105) is N-pyridazin-4-yl-2-(trifluoromethyl)pyrimidine-4-carboxamide.
What is the SMILES notation for N-pyridazin-4-yl-2-(trifluoromethyl)pyrimidine-4-carboxamide?
The canonical SMILES for N-pyridazin-4-yl-2-(trifluoromethyl)pyrimidine-4-carboxamide is O=C(Nc1ccnnc1)c1ccnc(C(F)(F)F)n1.
What is the InChIKey of N-pyridazin-4-yl-2-(trifluoromethyl)pyrimidine-4-carboxamide?
The InChIKey is BFYPOUCSXZPMNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6F3N5O/c11-10(12,13)9-14-3-2-7(18-9)8(19)17-6-1-4-15-16-5-6/h1-5H,(H,15,17,19).
What are the key properties of N-pyridazin-4-yl-2-(trifluoromethyl)pyrimidine-4-carboxamide?
N-pyridazin-4-yl-2-(trifluoromethyl)pyrimidine-4-carboxamide has a molecular weight of 269.19 g/mol, XLogP of 1.54, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-pyridazin-4-yl-2-(trifluoromethyl)pyrimidine-4-carboxamide is sourced from PubChem (CID 53493105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).