5-[5-[4-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-yl]-1H-pyrimidine-2,4-dione

C12H7F3N6O2 — CID 165128773

IUPAC5-[5-[4-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-yl]-1H-pyrimidine-2,4-dione
SMILESO=c1[nH]cc(-c2cc(-n3cc(C(F)(F)F)cn3)cnn2)c(=O)[nH]1
InChIInChI=1S/C12H7F3N6O2/c13-12(14,15)6-2-18-21(5-6)7-1-9(20-17-3-7)8-4-16-11(23)19-10(8)22/h1-5H,(H2,16,19,22,23)
InChIKeyHETHUOQRGCLKJJ-UHFFFAOYSA-N
MW324.22 g/mol
LogP0.72
Rot. Bonds2

About 5-[5-[4-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-yl]-1H-pyrimidine-2,4-dione

5-[5-[4-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-yl]-1H-pyrimidine-2,4-dione (PubChem CID 165128773) has the molecular formula C12H7F3N6O2 and a molecular weight of 324.22 g/mol. Its IUPAC name is 5-[5-[4-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-yl]-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-[5-[4-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-yl]-1H-pyrimidine-2,4-dione
PubChem CID165128773
Molecular FormulaC12H7F3N6O2
Molecular Weight324.22 g/mol
Exact Mass324.06
IUPAC Name5-[5-[4-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-yl]-1H-pyrimidine-2,4-dione
SMILESO=c1[nH]cc(-c2cc(-n3cc(C(F)(F)F)cn3)cnn2)c(=O)[nH]1
InChIInChI=1S/C12H7F3N6O2/c13-12(14,15)6-2-18-21(5-6)7-1-9(20-17-3-7)8-4-16-11(23)19-10(8)22/h1-5H,(H2,16,19,22,23)
InChIKeyHETHUOQRGCLKJJ-UHFFFAOYSA-N
XLogP0.72
TPSA109.32 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.22
LogP ≤ 50.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[5-[4-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-yl]-1H-pyrimidine-2,4-dione?
The IUPAC name of 5-[5-[4-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-yl]-1H-pyrimidine-2,4-dione (CID 165128773) is 5-[5-[4-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-yl]-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 5-[5-[4-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-yl]-1H-pyrimidine-2,4-dione?
The canonical SMILES for 5-[5-[4-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-yl]-1H-pyrimidine-2,4-dione is O=c1[nH]cc(-c2cc(-n3cc(C(F)(F)F)cn3)cnn2)c(=O)[nH]1.
What is the InChIKey of 5-[5-[4-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-yl]-1H-pyrimidine-2,4-dione?
The InChIKey is HETHUOQRGCLKJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7F3N6O2/c13-12(14,15)6-2-18-21(5-6)7-1-9(20-17-3-7)8-4-16-11(23)19-10(8)22/h1-5H,(H2,16,19,22,23).
What are the key properties of 5-[5-[4-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-yl]-1H-pyrimidine-2,4-dione?
5-[5-[4-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-yl]-1H-pyrimidine-2,4-dione has a molecular weight of 324.22 g/mol, XLogP of 0.72, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-[4-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-yl]-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 165128773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).