4-(3,6-dimethoxypyridazin-4-yl)-6-(trifluoromethyl)-1H-indazole

C14H11F3N4O2 — CID 71736823

IUPAC4-(3,6-dimethoxypyridazin-4-yl)-6-(trifluoromethyl)-1H-indazole
SMILESCOc1cc(-c2cc(C(F)(F)F)cc3[nH]ncc23)c(OC)nn1
InChIInChI=1S/C14H11F3N4O2/c1-22-12-5-9(13(23-2)21-20-12)8-3-7(14(15,16)17)4-11-10(8)6-18-19-11/h3-6H,1-2H3,(H,18,19)
InChIKeyCGTLYVBBVJTXTR-UHFFFAOYSA-N
MW324.26 g/mol
LogP3.06
Rot. Bonds3

About 4-(3,6-dimethoxypyridazin-4-yl)-6-(trifluoromethyl)-1H-indazole

4-(3,6-dimethoxypyridazin-4-yl)-6-(trifluoromethyl)-1H-indazole (PubChem CID 71736823) has the molecular formula C14H11F3N4O2 and a molecular weight of 324.26 g/mol. Its IUPAC name is 4-(3,6-dimethoxypyridazin-4-yl)-6-(trifluoromethyl)-1H-indazole.

Molecular Properties

Compound Name4-(3,6-dimethoxypyridazin-4-yl)-6-(trifluoromethyl)-1H-indazole
PubChem CID71736823
Molecular FormulaC14H11F3N4O2
Molecular Weight324.26 g/mol
Exact Mass324.08
IUPAC Name4-(3,6-dimethoxypyridazin-4-yl)-6-(trifluoromethyl)-1H-indazole
SMILESCOc1cc(-c2cc(C(F)(F)F)cc3[nH]ncc23)c(OC)nn1
InChIInChI=1S/C14H11F3N4O2/c1-22-12-5-9(13(23-2)21-20-12)8-3-7(14(15,16)17)4-11-10(8)6-18-19-11/h3-6H,1-2H3,(H,18,19)
InChIKeyCGTLYVBBVJTXTR-UHFFFAOYSA-N
XLogP3.06
TPSA72.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.26
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(3,6-dimethoxypyridazin-4-yl)-6-(trifluoromethyl)-1H-indazole?
The IUPAC name of 4-(3,6-dimethoxypyridazin-4-yl)-6-(trifluoromethyl)-1H-indazole (CID 71736823) is 4-(3,6-dimethoxypyridazin-4-yl)-6-(trifluoromethyl)-1H-indazole.
What is the SMILES notation for 4-(3,6-dimethoxypyridazin-4-yl)-6-(trifluoromethyl)-1H-indazole?
The canonical SMILES for 4-(3,6-dimethoxypyridazin-4-yl)-6-(trifluoromethyl)-1H-indazole is COc1cc(-c2cc(C(F)(F)F)cc3[nH]ncc23)c(OC)nn1.
What is the InChIKey of 4-(3,6-dimethoxypyridazin-4-yl)-6-(trifluoromethyl)-1H-indazole?
The InChIKey is CGTLYVBBVJTXTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11F3N4O2/c1-22-12-5-9(13(23-2)21-20-12)8-3-7(14(15,16)17)4-11-10(8)6-18-19-11/h3-6H,1-2H3,(H,18,19).
What are the key properties of 4-(3,6-dimethoxypyridazin-4-yl)-6-(trifluoromethyl)-1H-indazole?
4-(3,6-dimethoxypyridazin-4-yl)-6-(trifluoromethyl)-1H-indazole has a molecular weight of 324.26 g/mol, XLogP of 3.06, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,6-dimethoxypyridazin-4-yl)-6-(trifluoromethyl)-1H-indazole is sourced from PubChem (CID 71736823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).