6-[6-(3,3-difluorocyclobutyl)oxy-3-pyridinyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyrazine

C15H10F5N5O — CID 134555537

IUPAC6-[6-(3,3-difluorocyclobutyl)oxy-3-pyridinyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyrazine
SMILESFC1(F)CC(Oc2ccc(-c3cn4c(C(F)(F)F)nnc4cn3)cn2)C1
InChIInChI=1S/C15H10F5N5O/c16-14(17)3-9(4-14)26-12-2-1-8(5-22-12)10-7-25-11(6-21-10)23-24-13(25)15(18,19)20/h1-2,5-7,9H,3-4H2
InChIKeySTBXALFYIBCKOT-UHFFFAOYSA-N
MW371.27 g/mol
LogP3.38
Rot. Bonds3

About 6-[6-(3,3-difluorocyclobutyl)oxy-3-pyridinyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyrazine

6-[6-(3,3-difluorocyclobutyl)oxy-3-pyridinyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyrazine (PubChem CID 134555537) has the molecular formula C15H10F5N5O and a molecular weight of 371.27 g/mol. Its IUPAC name is 6-[6-(3,3-difluorocyclobutyl)oxy-3-pyridinyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyrazine.

Molecular Properties

Compound Name6-[6-(3,3-difluorocyclobutyl)oxy-3-pyridinyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyrazine
PubChem CID134555537
Molecular FormulaC15H10F5N5O
Molecular Weight371.27 g/mol
Exact Mass371.08
IUPAC Name6-[6-(3,3-difluorocyclobutyl)oxy-3-pyridinyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyrazine
SMILESFC1(F)CC(Oc2ccc(-c3cn4c(C(F)(F)F)nnc4cn3)cn2)C1
InChIInChI=1S/C15H10F5N5O/c16-14(17)3-9(4-14)26-12-2-1-8(5-22-12)10-7-25-11(6-21-10)23-24-13(25)15(18,19)20/h1-2,5-7,9H,3-4H2
InChIKeySTBXALFYIBCKOT-UHFFFAOYSA-N
XLogP3.38
TPSA65.20 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.27
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 6-[6-(3,3-difluorocyclobutyl)oxy-3-pyridinyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyrazine with MolForge

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Related Compounds

2-(4-Ethoxyphenyl)imidazo[1,2-a]pyridine
CID 720519
US10399985, Example 36
CID 118288233
US10399985, Example 45
CID 122693993
3,6-Bis(4-propan-2-yloxyphenyl)imidazo[1,2-b]pyridazine
CID 134179384
Prax-562
CID 147075611
Lmtk3-IN-1
CID 138454301
3-Fluoropropyl 4-(2-methylpyrazolo[1,5-a]pyrimidin-7-yl)phenyl ether
CID 3692931
6-(Cyclopropylmethoxy)-2-(4-ethoxyphenyl)imidazo[1,2-b]pyridazine
CID 11358773
2-[4-(2-Methoxyethoxy)phenyl]-6-propoxyimidazo[1,2-b]pyridazine
CID 11381836
4-[2-[4-[3-[(4-Fluorophenyl)methyl]triazolo[4,5-b]pyrazin-5-yl]phenoxy]ethyl]morpholine
CID 11419123
3-(1H-Imidazol-1-yl)-6-{4-[2-(trifluoromethyl)phenoxy]piperidin-1-yl}pyridazine
CID 16042459
2-[2-Fluoro-4-(3-piperidin-1-yl-propoxy)-phenyl]-7-methyl-imidazo[1,2-a]pyridine
CID 22015641

Frequently Asked Questions

What is the IUPAC name of 6-[6-(3,3-difluorocyclobutyl)oxy-3-pyridinyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyrazine?
The IUPAC name of 6-[6-(3,3-difluorocyclobutyl)oxy-3-pyridinyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyrazine (CID 134555537) is 6-[6-(3,3-difluorocyclobutyl)oxy-3-pyridinyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyrazine.
What is the SMILES notation for 6-[6-(3,3-difluorocyclobutyl)oxy-3-pyridinyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyrazine?
The canonical SMILES for 6-[6-(3,3-difluorocyclobutyl)oxy-3-pyridinyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyrazine is FC1(F)CC(Oc2ccc(-c3cn4c(C(F)(F)F)nnc4cn3)cn2)C1.
What is the InChIKey of 6-[6-(3,3-difluorocyclobutyl)oxy-3-pyridinyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyrazine?
The InChIKey is STBXALFYIBCKOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10F5N5O/c16-14(17)3-9(4-14)26-12-2-1-8(5-22-12)10-7-25-11(6-21-10)23-24-13(25)15(18,19)20/h1-2,5-7,9H,3-4H2.
What are the key properties of 6-[6-(3,3-difluorocyclobutyl)oxy-3-pyridinyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyrazine?
6-[6-(3,3-difluorocyclobutyl)oxy-3-pyridinyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyrazine has a molecular weight of 371.27 g/mol, XLogP of 3.38, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[6-(3,3-difluorocyclobutyl)oxy-3-pyridinyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyrazine is sourced from PubChem (CID 134555537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).