6-[5-(3,5-difluorophenyl)-3-(6-methyl-2-pyridinyl)triazol-4-yl]quinoxaline

C22H14F2N6 — CID 71552265

IUPAC6-[5-(3,5-difluorophenyl)-3-(6-methyl-2-pyridinyl)triazol-4-yl]quinoxaline
SMILESCc1cccc(-n2nnc(-c3cc(F)cc(F)c3)c2-c2ccc3nccnc3c2)n1
InChIInChI=1S/C22H14F2N6/c1-13-3-2-4-20(27-13)30-22(14-5-6-18-19(11-14)26-8-7-25-18)21(28-29-30)15-9-16(23)12-17(24)10-15/h2-12H,1H3
InChIKeyQOWRUABKIJJJMA-UHFFFAOYSA-N
MW400.39 g/mol
LogP4.53
Rot. Bonds3

About 6-[5-(3,5-difluorophenyl)-3-(6-methyl-2-pyridinyl)triazol-4-yl]quinoxaline

6-[5-(3,5-difluorophenyl)-3-(6-methyl-2-pyridinyl)triazol-4-yl]quinoxaline (PubChem CID 71552265) has the molecular formula C22H14F2N6 and a molecular weight of 400.39 g/mol. Its IUPAC name is 6-[5-(3,5-difluorophenyl)-3-(6-methyl-2-pyridinyl)triazol-4-yl]quinoxaline.

Molecular Properties

Compound Name6-[5-(3,5-difluorophenyl)-3-(6-methyl-2-pyridinyl)triazol-4-yl]quinoxaline
PubChem CID71552265
Molecular FormulaC22H14F2N6
Molecular Weight400.39 g/mol
Exact Mass400.12
IUPAC Name6-[5-(3,5-difluorophenyl)-3-(6-methyl-2-pyridinyl)triazol-4-yl]quinoxaline
SMILESCc1cccc(-n2nnc(-c3cc(F)cc(F)c3)c2-c2ccc3nccnc3c2)n1
InChIInChI=1S/C22H14F2N6/c1-13-3-2-4-20(27-13)30-22(14-5-6-18-19(11-14)26-8-7-25-18)21(28-29-30)15-9-16(23)12-17(24)10-15/h2-12H,1H3
InChIKeyQOWRUABKIJJJMA-UHFFFAOYSA-N
XLogP4.53
TPSA69.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.39
LogP ≤ 54.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-[5-(3,5-difluorophenyl)-3-(6-methyl-2-pyridinyl)triazol-4-yl]quinoxaline?
The IUPAC name of 6-[5-(3,5-difluorophenyl)-3-(6-methyl-2-pyridinyl)triazol-4-yl]quinoxaline (CID 71552265) is 6-[5-(3,5-difluorophenyl)-3-(6-methyl-2-pyridinyl)triazol-4-yl]quinoxaline.
What is the SMILES notation for 6-[5-(3,5-difluorophenyl)-3-(6-methyl-2-pyridinyl)triazol-4-yl]quinoxaline?
The canonical SMILES for 6-[5-(3,5-difluorophenyl)-3-(6-methyl-2-pyridinyl)triazol-4-yl]quinoxaline is Cc1cccc(-n2nnc(-c3cc(F)cc(F)c3)c2-c2ccc3nccnc3c2)n1.
What is the InChIKey of 6-[5-(3,5-difluorophenyl)-3-(6-methyl-2-pyridinyl)triazol-4-yl]quinoxaline?
The InChIKey is QOWRUABKIJJJMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H14F2N6/c1-13-3-2-4-20(27-13)30-22(14-5-6-18-19(11-14)26-8-7-25-18)21(28-29-30)15-9-16(23)12-17(24)10-15/h2-12H,1H3.
What are the key properties of 6-[5-(3,5-difluorophenyl)-3-(6-methyl-2-pyridinyl)triazol-4-yl]quinoxaline?
6-[5-(3,5-difluorophenyl)-3-(6-methyl-2-pyridinyl)triazol-4-yl]quinoxaline has a molecular weight of 400.39 g/mol, XLogP of 4.53, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[5-(3,5-difluorophenyl)-3-(6-methyl-2-pyridinyl)triazol-4-yl]quinoxaline is sourced from PubChem (CID 71552265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).