7-methyl-6-[4-(trifluoromethoxy)phenyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine;8-methyl-6-[4-(trifluoromethoxy)phenyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine

C28H16F12N8O2 — CID 142362434

IUPAC7-methyl-6-[4-(trifluoromethoxy)phenyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine;8-methyl-6-[4-(trifluoromethoxy)phenyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine
SMILESCc1cc(-c2ccc(OC(F)(F)F)cc2)nn2c(C(F)(F)F)nnc12.Cc1cc2nnc(C(F)(F)F)n2nc1-c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/2C14H8F6N4O/c1-7-6-10-21-22-12(13(15,16)17)24(10)23-11(7)8-2-4-9(5-3-8)25-14(18,19)20;1-7-6-10(8-2-4-9(5-3-8)25-14(18,19)20)23-24-11(7)21-22-12(24)13(15,16)17/h2*2-6H,1H3
InChIKeyPEIMPRZYGUEEQN-UHFFFAOYSA-N
MW724.47 g/mol
LogP8.03
Rot. Bonds4

About 7-methyl-6-[4-(trifluoromethoxy)phenyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine;8-methyl-6-[4-(trifluoromethoxy)phenyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine

7-methyl-6-[4-(trifluoromethoxy)phenyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine;8-methyl-6-[4-(trifluoromethoxy)phenyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine (PubChem CID 142362434) has the molecular formula C28H16F12N8O2 and a molecular weight of 724.47 g/mol. Its IUPAC name is 7-methyl-6-[4-(trifluoromethoxy)phenyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine;8-methyl-6-[4-(trifluoromethoxy)phenyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine.

Molecular Properties

Compound Name7-methyl-6-[4-(trifluoromethoxy)phenyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine;8-methyl-6-[4-(trifluoromethoxy)phenyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine
PubChem CID142362434
Molecular FormulaC28H16F12N8O2
Molecular Weight724.47 g/mol
Exact Mass724.12
IUPAC Name7-methyl-6-[4-(trifluoromethoxy)phenyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine;8-methyl-6-[4-(trifluoromethoxy)phenyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine
SMILESCc1cc(-c2ccc(OC(F)(F)F)cc2)nn2c(C(F)(F)F)nnc12.Cc1cc2nnc(C(F)(F)F)n2nc1-c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/2C14H8F6N4O/c1-7-6-10-21-22-12(13(15,16)17)24(10)23-11(7)8-2-4-9(5-3-8)25-14(18,19)20;1-7-6-10(8-2-4-9(5-3-8)25-14(18,19)20)23-24-11(7)21-22-12(24)13(15,16)17/h2*2-6H,1H3
InChIKeyPEIMPRZYGUEEQN-UHFFFAOYSA-N
XLogP8.03
TPSA104.62 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds4
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500724.47
LogP ≤ 58.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Analyze 7-methyl-6-[4-(trifluoromethoxy)phenyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine;8-methyl-6-[4-(trifluoromethoxy)phenyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine with MolForge

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Related Compounds

5-(4-Methoxyphenyl)-N-(4-(4-methylpiperazin-1-yl)phenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine
CID 44556112
2-(4-Methoxyphenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidine
CID 754731
4-(2-{4-[2-(Piperidin-1-yl)ethoxy]phenyl}-5,7-bis(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl)phenol
CID 16103238
4-(3-{4-[2-(Piperidin-1-yl)ethoxy]phenyl}-5,7-bis(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl)phenol
CID 135547714
3-(2-Methoxyphenyl)-2,5-dimethyl-7-phenylpyrazolo[1,5-a]pyrimidine
CID 977660
3,6-Bis(4-methoxyphenyl)-[1,2,4]triazolo[3,4-a]phthalazine
CID 1968501
5-(3,4-Dimethoxyphenyl)-2-phenyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine
CID 1241324
6-[4-[4-[2-(1-methyl-1H-pyrazol-5-yl)ethoxy]phenyl]piperidin-1-yl]-3-(trifluoromethyl)[1,2,4]triazolo[4,3-b]pyridazine
CID 42635876
N-[4-[[5-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]phenyl]acetamide
CID 44602589
6-(4-(Trifluoromethoxy)phenyl)-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine
CID 50905973
3-(2,3-Difluoro-4-methoxyphenyl)-2,5-dimethyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine
CID 131954513
6-(4-Ethylphenyl)-3-methyl-1-phenyl-4-[2-(trifluoromethoxy)phenyl]pyrazolo[5,4-b]pyridine-5-carbonitrile
CID 156207581

Frequently Asked Questions

What is the IUPAC name of 7-methyl-6-[4-(trifluoromethoxy)phenyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine;8-methyl-6-[4-(trifluoromethoxy)phenyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine?
The IUPAC name of 7-methyl-6-[4-(trifluoromethoxy)phenyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine;8-methyl-6-[4-(trifluoromethoxy)phenyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine (CID 142362434) is 7-methyl-6-[4-(trifluoromethoxy)phenyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine;8-methyl-6-[4-(trifluoromethoxy)phenyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine.
What is the SMILES notation for 7-methyl-6-[4-(trifluoromethoxy)phenyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine;8-methyl-6-[4-(trifluoromethoxy)phenyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine?
The canonical SMILES for 7-methyl-6-[4-(trifluoromethoxy)phenyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine;8-methyl-6-[4-(trifluoromethoxy)phenyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine is Cc1cc(-c2ccc(OC(F)(F)F)cc2)nn2c(C(F)(F)F)nnc12.Cc1cc2nnc(C(F)(F)F)n2nc1-c1ccc(OC(F)(F)F)cc1.
What is the InChIKey of 7-methyl-6-[4-(trifluoromethoxy)phenyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine;8-methyl-6-[4-(trifluoromethoxy)phenyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine?
The InChIKey is PEIMPRZYGUEEQN-UHFFFAOYSA-N. The full InChI is InChI=1S/2C14H8F6N4O/c1-7-6-10-21-22-12(13(15,16)17)24(10)23-11(7)8-2-4-9(5-3-8)25-14(18,19)20;1-7-6-10(8-2-4-9(5-3-8)25-14(18,19)20)23-24-11(7)21-22-12(24)13(15,16)17/h2*2-6H,1H3.
What are the key properties of 7-methyl-6-[4-(trifluoromethoxy)phenyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine;8-methyl-6-[4-(trifluoromethoxy)phenyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine?
7-methyl-6-[4-(trifluoromethoxy)phenyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine;8-methyl-6-[4-(trifluoromethoxy)phenyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine has a molecular weight of 724.47 g/mol, XLogP of 8.03, 4 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-6-[4-(trifluoromethoxy)phenyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine;8-methyl-6-[4-(trifluoromethoxy)phenyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine is sourced from PubChem (CID 142362434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).