ethane;8-fluoro-2,5-dimethyl-6-propan-2-yl-4H-[1,2,4]triazolo[1,5-a]quinoxaline

C16H23FN4 — CID 170960632

IUPACethane;8-fluoro-2,5-dimethyl-6-propan-2-yl-4H-[1,2,4]triazolo[1,5-a]quinoxaline
SMILESCC.Cc1nc2n(n1)-c1cc(F)cc(C(C)C)c1N(C)C2
InChIInChI=1S/C14H17FN4.C2H6/c1-8(2)11-5-10(15)6-12-14(11)18(4)7-13-16-9(3)17-19(12)13;1-2/h5-6,8H,7H2,1-4H3;1-2H3
InChIKeyNEQOYMXFJCYAHD-UHFFFAOYSA-N
MW290.39 g/mol
LogP3.81
Rot. Bonds1

About ethane;8-fluoro-2,5-dimethyl-6-propan-2-yl-4H-[1,2,4]triazolo[1,5-a]quinoxaline

ethane;8-fluoro-2,5-dimethyl-6-propan-2-yl-4H-[1,2,4]triazolo[1,5-a]quinoxaline (PubChem CID 170960632) has the molecular formula C16H23FN4 and a molecular weight of 290.39 g/mol. Its IUPAC name is ethane;8-fluoro-2,5-dimethyl-6-propan-2-yl-4H-[1,2,4]triazolo[1,5-a]quinoxaline.

Molecular Properties

Compound Nameethane;8-fluoro-2,5-dimethyl-6-propan-2-yl-4H-[1,2,4]triazolo[1,5-a]quinoxaline
PubChem CID170960632
Molecular FormulaC16H23FN4
Molecular Weight290.39 g/mol
Exact Mass290.19
IUPAC Nameethane;8-fluoro-2,5-dimethyl-6-propan-2-yl-4H-[1,2,4]triazolo[1,5-a]quinoxaline
SMILESCC.Cc1nc2n(n1)-c1cc(F)cc(C(C)C)c1N(C)C2
InChIInChI=1S/C14H17FN4.C2H6/c1-8(2)11-5-10(15)6-12-14(11)18(4)7-13-16-9(3)17-19(12)13;1-2/h5-6,8H,7H2,1-4H3;1-2H3
InChIKeyNEQOYMXFJCYAHD-UHFFFAOYSA-N
XLogP3.81
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.39
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze ethane;8-fluoro-2,5-dimethyl-6-propan-2-yl-4H-[1,2,4]triazolo[1,5-a]quinoxaline with MolForge

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Related Compounds

8-fluoro-2,5-dimethyl-6-propan-2-yl-4H-[1,2,4]triazolo[1,5-a]quinoxaline
CID 170960633
7-fluoro-2,5-dimethyl-6-propan-2-yl-4H-[1,2,4]triazolo[1,5-a]quinoxaline
CID 170960631
10-chloro-4,8-dimethyl-2,3,5,8,11-pentazatricyclo[7.4.0.02,6]trideca-1(9),3,5,10,12-pentaene
CID 164902869
N-(7-fluoro-2,5-dimethyl-4H-[1,2,4]triazolo[1,5-a]quinoxalin-6-yl)-1,1-diphenylmethanimine
CID 164902941
ethane;8-fluoro-2,5-dimethylspiro[[1,2,4]triazolo[1,5-a]quinoxaline-4,1'-cyclopropane]-6-amine
CID 170600323
(8-fluoro-2,5-dimethyl-1-oxo-4H-[1,2,4]triazolo[4,3-a]quinoxalin-6-yl)carbamic acid
CID 174240079
5-methyl-6-propan-2-yl-2-(trifluoromethyl)-4H-pyrazolo[1,5-a]quinoxaline
CID 174194995
3-[2-[2,6-di(propan-2-yl)phenyl]-5-methyl-1,2,4-triazol-3-yl]-6-fluoro-9-(4-fluorophenyl)carbazole;ethane
CID 145333364
3,6-difluoro-2-methyl-4-propan-2-ylpyridine
CID 159755748
1-(3,5-difluorophenyl)-3-methyl-5-[1-[4-(3-methyl-5-propan-2-yl-1,2,4-triazol-1-yl)cyclohexyl]propan-2-yl]-1,2,4-triazole
CID 126712930
1,3-dimethyl-5-propan-2-yl-1,2,4-triazole;ethane
CID 145338154
5-fluoro-2-(3-methylbutan-2-yl)-1,3-di(propan-2-yl)benzene
CID 170013663

Frequently Asked Questions

What is the IUPAC name of ethane;8-fluoro-2,5-dimethyl-6-propan-2-yl-4H-[1,2,4]triazolo[1,5-a]quinoxaline?
The IUPAC name of ethane;8-fluoro-2,5-dimethyl-6-propan-2-yl-4H-[1,2,4]triazolo[1,5-a]quinoxaline (CID 170960632) is ethane;8-fluoro-2,5-dimethyl-6-propan-2-yl-4H-[1,2,4]triazolo[1,5-a]quinoxaline.
What is the SMILES notation for ethane;8-fluoro-2,5-dimethyl-6-propan-2-yl-4H-[1,2,4]triazolo[1,5-a]quinoxaline?
The canonical SMILES for ethane;8-fluoro-2,5-dimethyl-6-propan-2-yl-4H-[1,2,4]triazolo[1,5-a]quinoxaline is CC.Cc1nc2n(n1)-c1cc(F)cc(C(C)C)c1N(C)C2.
What is the InChIKey of ethane;8-fluoro-2,5-dimethyl-6-propan-2-yl-4H-[1,2,4]triazolo[1,5-a]quinoxaline?
The InChIKey is NEQOYMXFJCYAHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FN4.C2H6/c1-8(2)11-5-10(15)6-12-14(11)18(4)7-13-16-9(3)17-19(12)13;1-2/h5-6,8H,7H2,1-4H3;1-2H3.
What are the key properties of ethane;8-fluoro-2,5-dimethyl-6-propan-2-yl-4H-[1,2,4]triazolo[1,5-a]quinoxaline?
ethane;8-fluoro-2,5-dimethyl-6-propan-2-yl-4H-[1,2,4]triazolo[1,5-a]quinoxaline has a molecular weight of 290.39 g/mol, XLogP of 3.81, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;8-fluoro-2,5-dimethyl-6-propan-2-yl-4H-[1,2,4]triazolo[1,5-a]quinoxaline is sourced from PubChem (CID 170960632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).