6-[4-(3,3-difluorocyclobutyl)oxyphenyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyrazine;3-(3,3-difluorocyclobutyl)-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyrazine

C32H22F10N8O2 — CID 142362429

IUPAC6-[4-(3,3-difluorocyclobutyl)oxyphenyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyrazine;3-(3,3-difluorocyclobutyl)-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyrazine
SMILESFC1(F)CC(Oc2ccc(-c3cn4c(C(F)(F)F)nnc4cn3)cc2)C1.FC1(F)CC(c2nnc3cnc(-c4ccc(OC(F)(F)F)cc4)cn23)C1
InChIInChI=1S/2C16H11F5N4O/c17-15(18)5-10(6-15)14-24-23-13-7-22-12(8-25(13)14)9-1-3-11(4-2-9)26-16(19,20)21;17-15(18)5-11(6-15)26-10-3-1-9(2-4-10)12-8-25-13(7-22-12)23-24-14(25)16(19,20)21/h1-4,7-8,10H,5-6H2;1-4,7-8,11H,5-6H2
InChIKeyKNZZRVTXBVSZOQ-UHFFFAOYSA-N
MW740.56 g/mol
LogP8.19
Rot. Bonds6

About 6-[4-(3,3-difluorocyclobutyl)oxyphenyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyrazine;3-(3,3-difluorocyclobutyl)-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyrazine

6-[4-(3,3-difluorocyclobutyl)oxyphenyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyrazine;3-(3,3-difluorocyclobutyl)-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyrazine (PubChem CID 142362429) has the molecular formula C32H22F10N8O2 and a molecular weight of 740.56 g/mol. Its IUPAC name is 6-[4-(3,3-difluorocyclobutyl)oxyphenyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyrazine;3-(3,3-difluorocyclobutyl)-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyrazine.

Molecular Properties

Compound Name6-[4-(3,3-difluorocyclobutyl)oxyphenyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyrazine;3-(3,3-difluorocyclobutyl)-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyrazine
PubChem CID142362429
Molecular FormulaC32H22F10N8O2
Molecular Weight740.56 g/mol
Exact Mass740.17
IUPAC Name6-[4-(3,3-difluorocyclobutyl)oxyphenyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyrazine;3-(3,3-difluorocyclobutyl)-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyrazine
SMILESFC1(F)CC(Oc2ccc(-c3cn4c(C(F)(F)F)nnc4cn3)cc2)C1.FC1(F)CC(c2nnc3cnc(-c4ccc(OC(F)(F)F)cc4)cn23)C1
InChIInChI=1S/2C16H11F5N4O/c17-15(18)5-10(6-15)14-24-23-13-7-22-12(8-25(13)14)9-1-3-11(4-2-9)26-16(19,20)21;17-15(18)5-11(6-15)26-10-3-1-9(2-4-10)12-8-25-13(7-22-12)23-24-14(25)16(19,20)21/h1-4,7-8,10H,5-6H2;1-4,7-8,11H,5-6H2
InChIKeyKNZZRVTXBVSZOQ-UHFFFAOYSA-N
XLogP8.19
TPSA104.62 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500740.56
LogP ≤ 58.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Analyze 6-[4-(3,3-difluorocyclobutyl)oxyphenyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyrazine;3-(3,3-difluorocyclobutyl)-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyrazine with MolForge

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Related Compounds

Methyl substituted pyrazole, 27
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3,6-Bis(4-propan-2-yloxyphenyl)imidazo[1,2-b]pyridazine
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4-[2-[4-[3-[(4-Fluorophenyl)methyl]triazolo[4,5-b]pyrazin-5-yl]phenoxy]ethyl]morpholine
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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-(4-methylpiperazin-1-yl)benzyl)-3-(4-(trifluoromethoxy)phenyl)imidazo[1,2-b]pyridazin-6-amine
CID 44530412
6-[4-(Trifluoromethoxy)phenyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyrazine
CID 87178559
3,6-Bis(4-propan-2-yloxyphenyl)imidazo[1,2-a]pyrazine
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CID 134179613
6-(1-Cyclopropylpyrazol-4-yl)-3-(4-propan-2-yloxyphenyl)imidazo[1,2-a]pyridine
CID 134179849
1-[2-(4-Imidazo[1,2-a]pyridin-3-ylphenoxy)pyrimidin-5-yl]-3-[2-pyrazol-1-yl-5-(trifluoromethyl)phenyl]urea
CID 118596745
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Frequently Asked Questions

What is the IUPAC name of 6-[4-(3,3-difluorocyclobutyl)oxyphenyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyrazine;3-(3,3-difluorocyclobutyl)-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyrazine?
The IUPAC name of 6-[4-(3,3-difluorocyclobutyl)oxyphenyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyrazine;3-(3,3-difluorocyclobutyl)-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyrazine (CID 142362429) is 6-[4-(3,3-difluorocyclobutyl)oxyphenyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyrazine;3-(3,3-difluorocyclobutyl)-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyrazine.
What is the SMILES notation for 6-[4-(3,3-difluorocyclobutyl)oxyphenyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyrazine;3-(3,3-difluorocyclobutyl)-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyrazine?
The canonical SMILES for 6-[4-(3,3-difluorocyclobutyl)oxyphenyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyrazine;3-(3,3-difluorocyclobutyl)-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyrazine is FC1(F)CC(Oc2ccc(-c3cn4c(C(F)(F)F)nnc4cn3)cc2)C1.FC1(F)CC(c2nnc3cnc(-c4ccc(OC(F)(F)F)cc4)cn23)C1.
What is the InChIKey of 6-[4-(3,3-difluorocyclobutyl)oxyphenyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyrazine;3-(3,3-difluorocyclobutyl)-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyrazine?
The InChIKey is KNZZRVTXBVSZOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C16H11F5N4O/c17-15(18)5-10(6-15)14-24-23-13-7-22-12(8-25(13)14)9-1-3-11(4-2-9)26-16(19,20)21;17-15(18)5-11(6-15)26-10-3-1-9(2-4-10)12-8-25-13(7-22-12)23-24-14(25)16(19,20)21/h1-4,7-8,10H,5-6H2;1-4,7-8,11H,5-6H2.
What are the key properties of 6-[4-(3,3-difluorocyclobutyl)oxyphenyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyrazine;3-(3,3-difluorocyclobutyl)-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyrazine?
6-[4-(3,3-difluorocyclobutyl)oxyphenyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyrazine;3-(3,3-difluorocyclobutyl)-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyrazine has a molecular weight of 740.56 g/mol, XLogP of 8.19, 6 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(3,3-difluorocyclobutyl)oxyphenyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyrazine;3-(3,3-difluorocyclobutyl)-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyrazine is sourced from PubChem (CID 142362429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).